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RDKit 2D
24 26 0 0 0 0 0 0 0 0999 V2000
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4.0838 -2.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2974 -1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1406 0.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7703 0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5567 -0.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <DATASOURCE_REGID> (1)
UALIB-1365
> <SMILES_RDKIT_2019.09.2> (1)
CC(=O)N1C(=S)OC(C2=CC=CC=C2)(C2=CC=CC=C2)[C@@H]1C(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (1)
InChI=1S/C20H21NO2S/c1-14(2)18-20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)23-19(24)21(18)15(3)22/h4-14,18H,1-3H3/t18-/m0/s1
> <SUBSTANCE_COMMENT> (1)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (1)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
58 62 0 0 0 0 0 0 0 0999 V2000
0.9390 -12.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0922 -8.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5840 -9.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.3638 -6.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.2974 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5474 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0474 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2974 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.9379 0.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.8812 -2.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <DATASOURCE_REGID> (2)
UALIB-1366
> <SMILES_RDKIT_2019.09.2> (2)
C/C=C/[C@@H](O)CC(=O)N1C(=S)OC(C2=CC=CC=C2)(C2=CC=CC=C2)[C@@H]1C(C)C.C/C=C/[C@H](O)CC(=O)N1C(=S)OC(C2=CC=CC=C2)(C2=CC=CC=C2)[C@@H]1C(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (2)
InChI=1S/2C24H27NO3S/c2*1-4-11-20(26)16-21(27)25-22(17(2)3)24(28-23(25)29,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h2*4-15,17,20,22,26H,16H2,1-3H3/b2*11-4+/t20-,22+;20-,22-/m10/s1
> <SUBSTANCE_COMMENT> (2)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (2)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
12 11 0 0 0 0 0 0 0 0999 V2000
-6.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
3 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 6
8 10 1 0
10 11 2 0
11 12 1 0
M END
> <DATASOURCE_REGID> (3)
UALIB-1367
> <SMILES_RDKIT_2019.09.2> (3)
C/C=C/[C@H](O)CC(=O)N(C)OC
> <INCHI_1.05_RDKIT_2019.09.2> (3)
InChI=1S/C8H15NO3/c1-4-5-7(10)6-8(11)9(2)12-3/h4-5,7,10H,6H2,1-3H3/b5-4+/t7-/m0/s1
> <SUBSTANCE_COMMENT> (3)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (3)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
13 13 0 0 0 0 0 0 0 0999 V2000
0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.1830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.4330 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9330 -3.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6830 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-7.1830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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4 5 1 0
5 6 1 6
5 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
10 11 1 0
10 12 1 0
12 13 1 0
4 1 1 0
M END
> <DATASOURCE_REGID> (4)
UALIB-1368
> <SMILES_RDKIT_2019.09.2> (4)
CON(C)C(=O)C[C@@H](O)C1CC1C
> <INCHI_1.05_RDKIT_2019.09.2> (4)
InChI=1S/C9H17NO3/c1-6-4-7(6)8(11)5-9(12)10(2)13-3/h6-8,11H,4-5H2,1-3H3/t6?,7?,8-/m1/s1
> <SUBSTANCE_COMMENT> (4)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (4)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
20 20 0 0 0 0 0 0 0 0999 V2000
0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
14 17 1 0
17 18 1 0
14 19 1 0
19 20 1 0
4 1 1 0
M END
> <DATASOURCE_REGID> (5)
UALIB-1369
> <SMILES_RDKIT_2019.09.2> (5)
CC[Si](CC)(CC)O[C@H](CC(=O)N(C)OC)[C@@H]1C[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (5)
InChI=1S/C15H31NO3Si/c1-7-20(8-2,9-3)19-14(13-10-12(13)4)11-15(17)16(5)18-6/h12-14H,7-11H2,1-6H3/t12-,13-,14-/m1/s1
> <SUBSTANCE_COMMENT> (5)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (5)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
19 19 0 0 0 0 0 0 0 0999 V2000
0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.4330 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.4330 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -3.3481 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
1.0670 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -5.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5670 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3170 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
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6 7 1 0
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5 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
13 16 1 0
16 17 1 0
13 18 1 0
18 19 1 0
4 1 1 0
M END
> <DATASOURCE_REGID> (6)
UALIB-1370
> <SMILES_RDKIT_2019.09.2> (6)
C=CCC(=O)C[C@@H](O[Si](CC)(CC)CC)[C@@H]1C[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (6)
InChI=1S/C16H30O2Si/c1-6-10-14(17)12-16(15-11-13(15)5)18-19(7-2,8-3)9-4/h6,13,15-16H,1,7-12H2,2-5H3/t13-,15-,16-/m1/s1
> <SUBSTANCE_COMMENT> (6)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (6)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
12 12 0 0 0 0 0 0 0 0999 V2000
0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.4330 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.4330 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-5.6830 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1830 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 6
5 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
10 11 1 0
11 12 2 0
4 1 1 0
M END
> <DATASOURCE_REGID> (7)
UALIB-1371
> <SMILES_RDKIT_2019.09.2> (7)
C=CCC(=O)C[C@@H](O)[C@@H]1C[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (7)
InChI=1S/C10H16O2/c1-3-4-8(11)6-10(12)9-5-7(9)2/h3,7,9-10,12H,1,4-6H2,2H3/t7-,9-,10-/m1/s1
> <SUBSTANCE_COMMENT> (7)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (7)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
24 24 0 0 0 0 0 0 0 0999 V2000
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0.8660 6.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.6830 4.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4330 3.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9330 3.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6830 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1830 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 6
5 7 1 0
7 8 1 0
8 9 1 1
8 10 1 0
10 11 1 0
11 12 2 0
13 14 1 1
13 15 1 0
16 15 1 6
16 17 1 0
17 18 1 6
17 19 1 0
19 20 1 0
20 21 1 6
20 22 1 0
22 23 1 0
23 24 2 0
4 1 1 0
16 13 1 0
M END
> <DATASOURCE_REGID> (8)
UALIB-1372
> <SMILES_RDKIT_2019.09.2> (8)
C=CC[C@@H](O)C[C@@H](O)[C@@H]1C[C@H]1C.C=CC[C@H](O)C[C@@H](O)[C@@H]1C[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (8)
InChI=1S/2C10H18O2/c2*1-3-4-8(11)6-10(12)9-5-7(9)2/h2*3,7-12H,1,4-6H2,2H3/t7-,8+,9-,10-;7-,8-,9-,10-/m11/s1
> <SUBSTANCE_COMMENT> (8)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (8)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
15 16 0 0 0 0 0 0 0 0999 V2000
1.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -5.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 6
6 7 1 0
7 8 1 1
8 9 1 0
9 10 2 0
7 11 1 0
11 12 1 0
12 13 1 0
12 14 1 0
12 15 1 0
4 1 1 0
15 5 1 0
M END
> <DATASOURCE_REGID> (9)
UALIB-1373
> <SMILES_RDKIT_2019.09.2> (9)
C=CC[C@H]1C[C@H]([C@@H]2C[C@H]2C)OC(C)(C)O1
> <INCHI_1.05_RDKIT_2019.09.2> (9)
InChI=1S/C13H22O2/c1-5-6-10-8-12(11-7-9(11)2)15-13(3,4)14-10/h5,9-12H,1,6-8H2,2-4H3/t9-,10+,11-,12-/m1/s1
> <SUBSTANCE_COMMENT> (9)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (9)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
15 16 0 0 0 0 0 0 0 0999 V2000
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1595 1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4895 2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 3 1 0
4 3 1 1
4 5 1 0
6 5 1 6
6 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
8 11 1 0
6 12 1 0
12 13 1 6
13 14 1 0
14 15 1 1
11 4 1 0
14 12 1 0
M END
> <DATASOURCE_REGID> (10)
UALIB-1374
> <SMILES_RDKIT_2019.09.2> (10)
C[C@@H]1C[C@H]1[C@H]1C[C@H](CC=O)OC(C)(C)O1
> <INCHI_1.05_RDKIT_2019.09.2> (10)
InChI=1S/C12H20O3/c1-8-6-10(8)11-7-9(4-5-13)14-12(2,3)15-11/h5,8-11H,4,6-7H2,1-3H3/t8-,9+,10-,11-/m1/s1
> <SUBSTANCE_COMMENT> (10)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (10)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
32 35 0 0 0 0 0 0 0 0999 V2000
1.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -5.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1399 7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6727 8.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2091 9.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2128 10.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7493 12.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 12.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7216 11.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2581 9.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2546 8.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5537 8.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2418 6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2455 5.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 6
6 7 1 0
7 8 1 1
8 9 1 0
9 10 1 0
9 11 1 0
11 12 1 0
11 13 1 0
13 14 2 0
13 15 1 0
15 16 1 0
16 17 1 6
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
16 24 1 0
24 25 1 0
25 26 1 0
26 27 2 0
7 28 1 0
28 29 1 0
29 30 1 0
29 31 1 0
29 32 1 0
4 1 1 0
32 5 1 0
26 15 1 0
23 18 1 0
M END
> <DATASOURCE_REGID> (11)
UALIB-1375
> <SMILES_RDKIT_2019.09.2> (11)
CC(C(=O)N1C(=O)OC[C@H]1CC1=CC=CC=C1)C(O)C[C@H]1C[C@H]([C@@H]2C[C@H]2C)OC(C)(C)O1
> <INCHI_1.05_RDKIT_2019.09.2> (11)
InChI=1S/C25H35NO6/c1-15-10-20(15)22-13-19(31-25(3,4)32-22)12-21(27)16(2)23(28)26-18(14-30-24(26)29)11-17-8-6-5-7-9-17/h5-9,15-16,18-22,27H,10-14H2,1-4H3/t15-,16?,18-,19+,20-,21?,22-/m1/s1
> <SUBSTANCE_COMMENT> (11)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (11)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
30 32 0 0 0 0 0 0 0 0999 V2000
1.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -5.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 6
6 7 1 0
7 8 1 1
9 8 1 1
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
9 14 1 0
14 15 1 6
14 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
7 26 1 0
26 27 1 0
27 28 1 0
27 29 1 0
27 30 1 0
4 1 1 0
30 5 1 0
25 20 1 0
M END
> <DATASOURCE_REGID> (12)
UALIB-1376
> <SMILES_RDKIT_2019.09.2> (12)
COCO[C@@H](C[C@H]1C[C@H]([C@@H]2C[C@H]2C)OC(C)(C)O1)[C@@H](C)C(=O)OCC1=CC=CC=C1
> <INCHI_1.05_RDKIT_2019.09.2> (12)
InChI=1S/C24H36O6/c1-16-11-20(16)22-13-19(29-24(3,4)30-22)12-21(28-15-26-5)17(2)23(25)27-14-18-9-7-6-8-10-18/h6-10,16-17,19-22H,11-15H2,1-5H3/t16-,17-,19+,20-,21+,22-/m1/s1
> <SUBSTANCE_COMMENT> (12)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (12)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
19 20 0 0 0 0 0 0 0 0999 V2000
1.5000 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 6
5 7 1 0
8 7 1 1
8 9 1 0
9 10 1 0
10 11 1 1
11 12 1 0
12 13 1 0
13 14 1 0
10 15 1 0
15 16 1 6
15 17 1 0
17 18 2 0
17 19 1 0
4 1 1 0
19 8 1 0
M END
> <DATASOURCE_REGID> (13)
UALIB-1377
> <SMILES_RDKIT_2019.09.2> (13)
COCO[C@H]1C[C@@H](C[C@@H](O)[C@@H]2C[C@H]2C)OC(=O)[C@@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (13)
InChI=1S/C14H24O5/c1-8-4-11(8)12(15)5-10-6-13(18-7-17-3)9(2)14(16)19-10/h8-13,15H,4-7H2,1-3H3/t8-,9-,10-,11-,12-,13+/m1/s1
> <SUBSTANCE_COMMENT> (13)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (13)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
25 26 0 0 0 0 0 0 0 0999 V2000
1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 0.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0586 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3191 1.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2077 -1.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6172 -0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7663 -1.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 6
2 3 1 0
3 4 1 1
1 5 1 0
5 6 1 6
5 7 1 0
8 7 1 1
8 9 1 0
9 10 1 0
10 11 1 1
11 12 1 0
12 13 1 0
13 14 1 0
10 15 1 0
15 16 1 6
15 17 1 0
17 18 1 6
17 19 1 0
19 20 1 0
20 21 2 0
20 22 1 0
22 23 1 0
23 24 1 0
17 25 1 0
3 1 1 0
25 8 1 0
M END
> <DATASOURCE_REGID> (14)
UALIB-1378
> <SMILES_RDKIT_2019.09.2> (14)
CCOC(=O)C[C@]1(O)O[C@H](C[C@@H](O)[C@@H]2C[C@H]2C)C[C@H](OCOC)[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (14)
InChI=1S/C18H32O7/c1-5-23-17(20)9-18(21)12(3)16(24-10-22-4)8-13(25-18)7-15(19)14-6-11(14)2/h11-16,19,21H,5-10H2,1-4H3/t11-,12-,13-,14-,15-,16+,18+/m1/s1
> <SUBSTANCE_COMMENT> (14)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (14)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
22 23 0 0 0 0 0 0 0 0999 V2000
1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 6
2 3 1 0
3 4 1 1
1 5 1 0
5 6 1 6
5 7 1 0
8 7 1 1
8 9 1 0
9 10 1 0
10 11 1 1
11 12 1 0
12 13 1 0
13 14 1 0
10 15 1 0
15 16 1 6
15 17 1 0
17 18 1 1
18 19 1 0
19 20 1 0
19 21 2 0
17 22 1 0
3 1 1 0
22 8 1 0
M END
> <DATASOURCE_REGID> (15)
UALIB-1379
> <SMILES_RDKIT_2019.09.2> (15)
COCO[C@H]1C[C@@H](C[C@@H](O)[C@@H]2C[C@H]2C)O[C@@H](CC(=O)O)[C@@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (15)
InChI=1S/C16H28O6/c1-9-4-12(9)13(17)5-11-6-14(21-8-20-3)10(2)15(22-11)7-16(18)19/h9-15,17H,4-8H2,1-3H3,(H,18,19)/t9-,10-,11-,12-,13-,14+,15+/m1/s1
> <SUBSTANCE_COMMENT> (15)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (15)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
25 26 0 0 0 0 0 0 0 0999 V2000
1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 0.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0586 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3191 1.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2077 -1.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6172 -0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7663 -1.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 1
1 5 1 6
5 6 2 0
5 7 1 0
8 7 1 1
8 9 1 0
9 10 1 0
10 11 1 1
11 12 1 0
12 13 1 0
13 14 1 0
10 15 1 0
15 16 1 6
15 17 1 0
17 18 1 6
17 19 1 0
19 20 1 0
20 21 2 0
20 22 1 0
22 23 1 0
23 24 1 0
17 25 1 0
3 1 1 0
25 8 1 0
M END
> <DATASOURCE_REGID> (16)
UALIB-1380
> <SMILES_RDKIT_2019.09.2> (16)
CCOC(=O)C[C@]1(O)O[C@H](CC(=O)[C@@H]2C[C@H]2C)C[C@H](OCOC)[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (16)
InChI=1S/C18H30O7/c1-5-23-17(20)9-18(21)12(3)16(24-10-22-4)8-13(25-18)7-15(19)14-6-11(14)2/h11-14,16,21H,5-10H2,1-4H3/t11-,12-,13-,14-,16+,18+/m1/s1
> <SUBSTANCE_COMMENT> (16)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (16)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
21 22 0 0 0 0 0 0 0 0999 V2000
1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 1
1 5 1 6
5 6 2 0
5 7 1 0
8 7 1 1
8 9 1 0
9 10 1 0
10 11 1 1
11 12 1 0
12 13 1 0
13 14 1 0
10 15 1 0
15 16 1 6
15 17 1 0
17 18 1 1
18 19 1 0
19 20 2 0
17 21 1 0
3 1 1 0
21 8 1 0
M END
> <DATASOURCE_REGID> (17)
UALIB-1381
> <SMILES_RDKIT_2019.09.2> (17)
C=CC[C@@H]1O[C@H](CC(=O)[C@@H]2C[C@H]2C)C[C@H](OCOC)[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (17)
InChI=1S/C17H28O4/c1-5-6-16-12(3)17(20-10-19-4)9-13(21-16)8-15(18)14-7-11(14)2/h5,11-14,16-17H,1,6-10H2,2-4H3/t11-,12+,13-,14-,16+,17+/m1/s1
> <SUBSTANCE_COMMENT> (17)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (17)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
22 23 0 0 0 0 0 0 0 0999 V2000
1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 0.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0586 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2077 -1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 1
1 5 1 6
5 6 2 0
5 7 1 0
8 7 1 1
8 9 1 0
9 10 1 0
10 11 1 1
11 12 1 0
12 13 1 0
13 14 1 0
10 15 1 0
15 16 1 6
15 17 1 0
17 18 1 6
17 19 1 0
19 20 1 0
20 21 2 0
17 22 1 0
3 1 1 0
22 8 1 0
M END
> <DATASOURCE_REGID> (18)
UALIB-1382
> <SMILES_RDKIT_2019.09.2> (18)
C=CC[C@]1(O)O[C@H](CC(=O)[C@@H]2C[C@H]2C)C[C@H](OCOC)[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (18)
InChI=1S/C17H28O5/c1-5-6-17(19)12(3)16(21-10-20-4)9-13(22-17)8-15(18)14-7-11(14)2/h5,11-14,16,19H,1,6-10H2,2-4H3/t11-,12-,13-,14-,16+,17+/m1/s1
> <SUBSTANCE_COMMENT> (18)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (18)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
42 44 0 0 0 0 0 0 0 0999 V2000
1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0000 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 6
2 3 1 0
3 4 1 1
1 5 1 0
5 6 1 1
5 7 1 0
8 7 1 1
8 9 1 0
9 10 1 0
10 11 1 1
11 12 1 0
12 13 1 0
13 14 1 0
10 15 1 0
15 16 1 6
15 17 1 0
17 18 1 1
18 19 1 0
19 20 2 0
17 21 1 0
22 23 1 6
23 24 1 0
24 25 1 1
22 26 1 0
26 27 1 6
26 28 1 0
29 28 1 1
29 30 1 0
30 31 1 0
31 32 1 1
32 33 1 0
33 34 1 0
34 35 1 0
31 36 1 0
36 37 1 6
36 38 1 0
38 39 1 1
39 40 1 0
40 41 2 0
38 42 1 0
3 1 1 0
21 8 1 0
24 22 1 0
42 29 1 0
M END
> <DATASOURCE_REGID> (19)
UALIB-1383
> <SMILES_RDKIT_2019.09.2> (19)
C=CC[C@@H]1O[C@H](C[C@@H](O)[C@@H]2C[C@H]2C)C[C@H](OCOC)[C@H]1C.C=CC[C@@H]1O[C@H](C[C@H](O)[C@@H]2C[C@H]2C)C[C@H](OCOC)[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (19)
InChI=1S/2C17H30O4/c2*1-5-6-16-12(3)17(20-10-19-4)9-13(21-16)8-15(18)14-7-11(14)2/h2*5,11-18H,1,6-10H2,2-4H3/t11-,12+,13-,14-,15+,16+,17+;11-,12+,13-,14-,15-,16+,17+/m11/s1
> <SUBSTANCE_COMMENT> (19)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (19)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
16 16 0 0 0 0 0 0 0 0999 V2000
0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4330 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9330 -3.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6830 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6830 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8170 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8170 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 1
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
9 11 1 0
11 12 1 0
5 13 1 0
13 14 1 0
14 15 1 0
14 16 2 0
4 1 1 0
M END
> <DATASOURCE_REGID> (20)
UALIB-1384
> <SMILES_RDKIT_2019.09.2> (20)
CON(C)C(=O)C[C@H](OC(C)=O)[C@@H]1C[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (20)
InChI=1S/C11H19NO4/c1-7-5-9(7)10(16-8(2)13)6-11(14)12(3)15-4/h7,9-10H,5-6H2,1-4H3/t7-,9-,10+/m1/s1
> <SUBSTANCE_COMMENT> (20)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (20)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
12 12 0 0 0 0 0 0 0 0999 V2000
0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4330 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9330 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6830 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1830 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 1
5 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
10 11 1 0
11 12 2 0
4 1 1 0
M END
> <DATASOURCE_REGID> (21)
UALIB-1385
> <SMILES_RDKIT_2019.09.2> (21)
C=CCC(=O)C[C@H](O)[C@@H]1C[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (21)
InChI=1S/C10H16O2/c1-3-4-8(11)6-10(12)9-5-7(9)2/h3,7,9-10,12H,1,4-6H2,2H3/t7-,9-,10+/m1/s1
> <SUBSTANCE_COMMENT> (21)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (21)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
15 16 0 0 0 0 0 0 0 0999 V2000
1.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -5.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 1
6 7 1 0
7 8 1 1
8 9 1 0
9 10 2 0
7 11 1 0
11 12 1 0
12 13 1 0
12 14 1 0
12 15 1 0
4 1 1 0
15 5 1 0
M END
> <DATASOURCE_REGID> (22)
UALIB-1386
> <SMILES_RDKIT_2019.09.2> (22)
C=CC[C@H]1C[C@@H]([C@@H]2C[C@H]2C)OC(C)(C)O1
> <INCHI_1.05_RDKIT_2019.09.2> (22)
InChI=1S/C13H22O2/c1-5-6-10-8-12(11-7-9(11)2)15-13(3,4)14-10/h5,9-12H,1,6-8H2,2-4H3/t9-,10+,11-,12+/m1/s1
> <SUBSTANCE_COMMENT> (22)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (22)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
15 16 0 0 0 0 0 0 0 0999 V2000
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1595 1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4895 2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 3 1 0
4 3 1 1
4 5 1 0
6 5 1 1
6 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
8 11 1 0
6 12 1 0
12 13 1 6
13 14 1 0
14 15 1 1
11 4 1 0
14 12 1 0
M END
> <DATASOURCE_REGID> (23)
UALIB-1387
> <SMILES_RDKIT_2019.09.2> (23)
C[C@@H]1C[C@H]1[C@@H]1C[C@H](CC=O)OC(C)(C)O1
> <INCHI_1.05_RDKIT_2019.09.2> (23)
InChI=1S/C12H20O3/c1-8-6-10(8)11-7-9(4-5-13)14-12(2,3)15-11/h5,8-11H,4,6-7H2,1-3H3/t8-,9+,10-,11+/m1/s1
> <SUBSTANCE_COMMENT> (23)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (23)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
32 35 0 0 0 0 0 0 0 0999 V2000
1.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.1399 7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6727 8.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2091 9.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2128 10.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7493 12.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 12.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.2546 8.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.2418 6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2455 5.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1 3 1 0
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9 10 1 0
9 11 1 0
11 12 1 0
11 13 1 0
13 14 2 0
13 15 1 0
15 16 1 0
16 17 1 6
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
16 24 1 0
24 25 1 0
25 26 1 0
26 27 2 0
7 28 1 0
28 29 1 0
29 30 1 0
29 31 1 0
29 32 1 0
4 1 1 0
32 5 1 0
26 15 1 0
23 18 1 0
M END
> <DATASOURCE_REGID> (24)
UALIB-1388
> <SMILES_RDKIT_2019.09.2> (24)
CC(C(=O)N1C(=O)OC[C@H]1CC1=CC=CC=C1)C(O)C[C@H]1C[C@@H]([C@@H]2C[C@H]2C)OC(C)(C)O1
> <INCHI_1.05_RDKIT_2019.09.2> (24)
InChI=1S/C25H35NO6/c1-15-10-20(15)22-13-19(31-25(3,4)32-22)12-21(27)16(2)23(28)26-18(14-30-24(26)29)11-17-8-6-5-7-9-17/h5-9,15-16,18-22,27H,10-14H2,1-4H3/t15-,16?,18-,19+,20-,21?,22+/m1/s1
> <SUBSTANCE_COMMENT> (24)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (24)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
35 38 0 0 0 0 0 0 0 0999 V2000
1.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -5.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1399 7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6727 8.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2091 9.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2128 10.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7493 12.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 12.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7216 11.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2581 9.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2546 8.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5537 8.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2418 6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2455 5.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 1
6 7 1 0
7 8 1 1
9 8 1 1
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
9 14 1 0
14 15 1 6
14 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 6
20 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
19 27 1 0
27 28 1 0
28 29 1 0
29 30 2 0
7 31 1 0
31 32 1 0
32 33 1 0
32 34 1 0
32 35 1 0
4 1 1 0
35 5 1 0
29 18 1 0
26 21 1 0
M END
> <DATASOURCE_REGID> (25)
UALIB-1389
> <SMILES_RDKIT_2019.09.2> (25)
COCO[C@@H](C[C@H]1C[C@@H]([C@@H]2C[C@H]2C)OC(C)(C)O1)[C@@H](C)C(=O)N1C(=O)OC[C@H]1CC1=CC=CC=C1
> <INCHI_1.05_RDKIT_2019.09.2> (25)
InChI=1S/C27H39NO7/c1-17-11-22(17)24-14-21(34-27(3,4)35-24)13-23(33-16-31-5)18(2)25(29)28-20(15-32-26(28)30)12-19-9-7-6-8-10-19/h6-10,17-18,20-24H,11-16H2,1-5H3/t17-,18-,20-,21+,22-,23+,24+/m1/s1
> <SUBSTANCE_COMMENT> (25)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (25)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
30 32 0 0 0 0 0 0 0 0999 V2000
1.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -5.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 6.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.7500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 9.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 1
6 7 1 0
7 8 1 1
9 8 1 1
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
9 14 1 0
14 15 1 6
14 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
7 26 1 0
26 27 1 0
27 28 1 0
27 29 1 0
27 30 1 0
4 1 1 0
30 5 1 0
25 20 1 0
M END
> <DATASOURCE_REGID> (26)
UALIB-1390
> <SMILES_RDKIT_2019.09.2> (26)
COCO[C@@H](C[C@H]1C[C@@H]([C@@H]2C[C@H]2C)OC(C)(C)O1)[C@@H](C)C(=O)OCC1=CC=CC=C1
> <INCHI_1.05_RDKIT_2019.09.2> (26)
InChI=1S/C24H36O6/c1-16-11-20(16)22-13-19(29-24(3,4)30-22)12-21(28-15-26-5)17(2)23(25)27-14-18-9-7-6-8-10-18/h6-10,16-17,19-22H,11-15H2,1-5H3/t16-,17-,19+,20-,21+,22+/m1/s1
> <SUBSTANCE_COMMENT> (26)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (26)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
58 62 0 0 0 0 0 0 0 0999 V2000
1.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -5.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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11.1491 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3991 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1491 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6491 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3991 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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17.1491 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3991 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8991 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6491 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1491 5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3991 6.4952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.7890 7.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3217 8.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8582 9.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8619 10.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3984 12.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9312 12.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9275 11.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3910 9.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9037 8.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2027 8.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.8908 6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8945 5.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8991 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1491 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8991 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 1
6 7 1 0
7 8 1 1
8 9 1 0
9 10 1 1
9 11 1 0
11 12 1 6
11 13 1 0
13 14 2 0
13 15 1 0
15 16 1 0
15 17 1 0
17 18 1 0
7 19 1 0
19 20 1 0
20 21 1 0
20 22 1 0
20 23 1 0
24 25 1 1
24 26 1 0
27 26 1 6
27 28 1 0
28 29 1 1
29 30 1 0
30 31 1 1
32 31 1 1
32 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
32 37 1 0
37 38 1 6
37 39 1 0
39 40 2 0
39 41 1 0
41 42 1 0
42 43 1 6
43 44 1 0
44 45 2 0
45 46 1 0
46 47 2 0
47 48 1 0
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42 50 1 0
50 51 1 0
51 52 1 0
52 53 2 0
30 54 1 0
54 55 1 0
55 56 1 0
55 57 1 0
55 58 1 0
4 1 1 0
23 5 1 0
27 24 1 0
58 28 1 0
52 41 1 0
49 44 1 0
M END
> <DATASOURCE_REGID> (27)
UALIB-1391
> <SMILES_RDKIT_2019.09.2> (27)
COCO[C@@H](C[C@H]1C[C@@H]([C@@H]2C[C@H]2C)OC(C)(C)O1)[C@@H](C)C(=O)N1C(=O)OC[C@H]1CC1=CC=CC=C1.CON(C)C(=O)[C@H](C)[C@@H](O)C[C@H]1C[C@@H]([C@@H]2C[C@H]2C)OC(C)(C)O1
> <INCHI_1.05_RDKIT_2019.09.2> (27)
InChI=1S/C27H39NO7.C17H31NO5/c1-17-11-22(17)24-14-21(34-27(3,4)35-24)13-23(33-16-31-5)18(2)25(29)28-20(15-32-26(28)30)12-19-9-7-6-8-10-19;1-10-7-13(10)15-9-12(22-17(3,4)23-15)8-14(19)11(2)16(20)18(5)21-6/h6-10,17-18,20-24H,11-16H2,1-5H3;10-15,19H,7-9H2,1-6H3/t17-,18-,20-,21+,22-,23+,24+;10-,11-,12+,13-,14+,15+/m11/s1
> <SUBSTANCE_COMMENT> (27)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (27)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
19 20 0 0 0 0 0 0 0 0999 V2000
1.5000 -6.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 1
5 7 1 0
8 7 1 1
8 9 1 0
9 10 1 0
10 11 1 1
11 12 1 0
12 13 1 0
13 14 1 0
10 15 1 0
15 16 1 6
15 17 1 0
17 18 2 0
17 19 1 0
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M END
> <DATASOURCE_REGID> (28)
UALIB-1392
> <SMILES_RDKIT_2019.09.2> (28)
COCO[C@H]1C[C@@H](C[C@H](O)[C@@H]2C[C@H]2C)OC(=O)[C@@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (28)
InChI=1S/C14H24O5/c1-8-4-11(8)12(15)5-10-6-13(18-7-17-3)9(2)14(16)19-10/h8-13,15H,4-7H2,1-3H3/t8-,9-,10-,11-,12+,13+/m1/s1
> <SUBSTANCE_COMMENT> (28)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (28)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
21 22 0 0 0 0 0 0 0 0999 V2000
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 -5.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0490 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5490 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 0
6 7 1 6
7 8 1 0
8 9 1 1
8 10 1 0
10 11 1 6
11 12 1 0
12 13 1 1
6 14 1 0
14 15 1 0
15 16 1 6
16 17 1 0
17 18 1 0
18 19 1 0
15 20 1 0
20 21 1 1
20 4 1 0
12 10 1 0
M END
> <DATASOURCE_REGID> (29)
UALIB-1393
> <SMILES_RDKIT_2019.09.2> (29)
COCO[C@H]1C[C@@H](C[C@H](O)[C@@H]2C[C@H]2C)O[C@@H](CC=O)[C@@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (29)
InChI=1S/C16H28O5/c1-10-6-13(10)14(18)7-12-8-16(20-9-19-3)11(2)15(21-12)4-5-17/h5,10-16,18H,4,6-9H2,1-3H3/t10-,11+,12-,13-,14+,15+,16+/m1/s1
> <SUBSTANCE_COMMENT> (29)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (29)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
29 30 0 0 0 0 0 0 0 0999 V2000
6.6888 -9.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1523 -10.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2216 -8.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7581 -7.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7618 -6.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2290 -6.5149 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.5409 -5.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9674 -4.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9171 -7.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0318 -8.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6962 -6.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6999 -5.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2909 -7.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2872 -8.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8273 -5.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8310 -4.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3601 -5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7418 -4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0537 -5.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2454 -6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4022 -7.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 3 1 0
4 3 1 1
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
6 9 1 0
9 10 1 0
6 11 1 0
11 12 1 0
4 13 1 0
13 14 1 1
13 15 1 0
15 16 2 0
15 17 1 0
17 18 1 0
18 19 1 1
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
18 26 1 0
26 27 1 0
27 28 1 0
28 29 2 0
28 17 1 0
25 20 1 0
M END
> <DATASOURCE_REGID> (30)
UALIB-1394
> <SMILES_RDKIT_2019.09.2> (30)
CC[Si](CC)(CC)O[C@@H](CC=O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1CC1=CC=CC=C1
> <INCHI_1.05_RDKIT_2019.09.2> (30)
InChI=1S/C22H33NO5Si/c1-5-29(6-2,7-3)28-20(13-14-24)17(4)21(25)23-19(16-27-22(23)26)15-18-11-9-8-10-12-18/h8-12,14,17,19-20H,5-7,13,15-16H2,1-4H3/t17-,19-,20+/m1/s1
> <SUBSTANCE_COMMENT> (30)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (30)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
29 30 0 0 0 0 0 0 0 0999 V2000
2.2872 -8.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2909 -7.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7581 -7.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2216 -8.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6888 -9.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1523 -10.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7618 -6.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2290 -6.5149 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.5409 -5.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9171 -7.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6962 -6.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0081 -5.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3843 -8.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1634 -7.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8273 -5.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8310 -4.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3601 -5.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7418 -4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0537 -5.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2454 -6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4022 -7.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1
2 3 1 0
3 4 1 1
4 5 1 0
5 6 2 0
3 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
8 11 1 0
11 12 1 0
11 13 1 0
11 14 1 0
2 15 1 0
15 16 2 0
15 17 1 0
17 18 1 0
18 19 1 1
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
18 26 1 0
26 27 1 0
27 28 1 0
28 29 2 0
28 17 1 0
25 20 1 0
M END
> <DATASOURCE_REGID> (31)
UALIB-1395
> <SMILES_RDKIT_2019.09.2> (31)
C=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1CC1=CC=CC=C1
> <INCHI_1.05_RDKIT_2019.09.2> (31)
InChI=1S/C23H35NO4Si/c1-8-12-20(28-29(6,7)23(3,4)5)17(2)21(25)24-19(16-27-22(24)26)15-18-13-10-9-11-14-18/h8-11,13-14,17,19-20H,1,12,15-16H2,2-7H3/t17-,19-,20+/m1/s1
> <SUBSTANCE_COMMENT> (31)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (31)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
30 31 0 0 0 0 0 0 0 0999 V2000
4.7581 -7.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2909 -7.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2872 -8.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7507 -9.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2179 -9.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6814 -11.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2216 -8.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8199 -7.8087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1838 -8.9235 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
0.9310 -9.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2985 -7.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1875 -10.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0727 -11.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3022 -9.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1912 -11.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8273 -5.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3601 -5.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8310 -4.4646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5192 -2.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1488 -2.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9920 -0.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6217 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4649 1.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6785 2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0488 1.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2056 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8182 -2.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9329 -3.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3228 -4.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0728 -5.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6
2 3 1 0
3 4 1 6
4 5 1 0
5 6 1 0
5 7 2 0
3 8 1 0
8 9 1 0
9 10 1 0
9 11 1 0
9 12 1 0
12 13 1 0
12 14 1 0
12 15 1 0
2 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 6
20 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
19 27 1 0
27 28 1 0
28 29 1 0
29 30 2 0
29 18 1 0
26 21 1 0
M END
> <DATASOURCE_REGID> (32)
UALIB-1396
> <SMILES_RDKIT_2019.09.2> (32)
CC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1CC1=CC=CC=C1
> <INCHI_1.05_RDKIT_2019.09.2> (32)
InChI=1S/C23H35NO5Si/c1-16(25)13-20(29-30(6,7)23(3,4)5)17(2)21(26)24-19(15-28-22(24)27)14-18-11-9-8-10-12-18/h8-12,17,19-20H,13-15H2,1-7H3/t17-,19-,20+/m1/s1
> <SUBSTANCE_COMMENT> (32)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (32)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
20 20 0 0 0 0 0 0 0 0999 V2000
0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4330 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9330 -3.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6830 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6830 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -3.3481 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
1.8170 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3170 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8170 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3170 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 6
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
9 11 1 0
11 12 1 0
5 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
15 17 1 0
14 18 1 0
18 19 1 0
18 20 1 0
4 1 1 0
M END
> <DATASOURCE_REGID> (33)
UALIB-1397
> <SMILES_RDKIT_2019.09.2> (33)
CON(C)C(=O)C[C@@H](O[SiH](C(C)C)C(C)C)[C@@H]1C[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (33)
InChI=1S/C15H31NO3Si/c1-10(2)20(11(3)4)19-14(13-8-12(13)5)9-15(17)16(6)18-7/h10-14,20H,8-9H2,1-7H3/t12-,13-,14-/m1/s1
> <SUBSTANCE_COMMENT> (33)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (33)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
19 19 0 0 0 0 0 0 0 0999 V2000
0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4330 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9330 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6830 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1830 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -3.3481 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
1.8170 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3170 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8170 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3170 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 6
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
10 11 2 0
5 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
13 17 1 0
17 18 1 0
17 19 1 0
4 1 1 0
M END
> <DATASOURCE_REGID> (34)
UALIB-1398
> <SMILES_RDKIT_2019.09.2> (34)
C=CCC(=O)C[C@@H](O[SiH](C(C)C)C(C)C)[C@@H]1C[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (34)
InChI=1S/C16H30O2Si/c1-7-8-14(17)10-16(15-9-13(15)6)18-19(11(2)3)12(4)5/h7,11-13,15-16,19H,1,8-10H2,2-6H3/t13-,15-,16-/m1/s1
> <SUBSTANCE_COMMENT> (34)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (34)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
19 19 0 0 0 0 0 0 0 0999 V2000
0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4330 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6830 -4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9330 -3.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6830 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6830 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 -3.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -3.3481 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
1.0670 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5670 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3170 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8170 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1
1 3 1 0
4 3 1 6
4 5 1 0
5 6 1 1
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
9 11 1 0
11 12 1 0
5 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
17 18 1 0
18 19 2 0
4 1 1 0
M END
> <DATASOURCE_REGID> (35)
UALIB-1399
> <SMILES_RDKIT_2019.09.2> (35)
C=CC[Si](C)(C)O[C@@H](CC(=O)N(C)OC)[C@@H]1C[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (35)
InChI=1S/C14H27NO3Si/c1-7-8-19(5,6)18-13(12-9-11(12)2)10-14(16)15(3)17-4/h7,11-13H,1,8-10H2,2-6H3/t11-,12-,13+/m1/s1
> <SUBSTANCE_COMMENT> (35)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (35)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
RDKit 2D
15 15 0 0 0 0 0 0 0 0999 V2000
4.6160 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3660 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1160 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1160 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6160 1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.6160 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6160 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1160 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4330 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1830 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 3 1 0
4 3 1 1
4 5 1 0
5 6 1 0
6 7 1 0
6 8 1 0
6 9 1 0
9 10 1 0
10 11 2 0
4 12 1 0
12 13 1 1
13 14 1 0
14 15 1 6
14 12 1 0
M END
> <DATASOURCE_REGID> (36)
UALIB-1400
> <SMILES_RDKIT_2019.09.2> (36)
C=CC[Si](C)(C)O[C@@H](CC=O)[C@@H]1C[C@H]1C
> <INCHI_1.05_RDKIT_2019.09.2> (36)
InChI=1S/C12H22O2Si/c1-5-8-15(3,4)14-12(6-7-13)11-9-10(11)2/h5,7,10-12H,1,6,8-9H2,2-4H3/t10-,11-,12+/m1/s1
> <SUBSTANCE_COMMENT> (36)
Carrick, J.D. Progress towards the formal enantioselective total synthesis of (-)-clavosolide A. Ph.D. Thesis, The University of Alabama, 2008.
> <SUBSTANCE_URL> (36)
http://library.ua.edu/vwebv/holdingsInfo?bibId=2634576
$$$$
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