Mol:
15291-77-7.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0
6.2816 -7.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4586 -7.1725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1487 -6.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3480 -6.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2816 -7.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9345 -5.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5671 -6.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1331 -4.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8977 -4.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4330 -4.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6291 -4.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0
2 3 1 0 0 0
3 4 1 0 0 0
4 5 1 0 0 0
5 6 1 6 0 0
5 7 1 0 0 0
2 7 1 0 0 0
7 8 1 0 0 0
8 9 1 0 0 0
9 10 2 0 0 0
9 11 1 0 0 0
5 11 1 0 0 0
11 12 1 6 0 0
7 13 1 6 0 0
4 14 1 0 0 0
14 15 1 0 0 0
15 16 1 0 0 0
3 16 1 0 0 0
16 17 1 0 0 0
17 18 1 6 0 0
18 19 1 0 0 0
18 20 1 0 0 0
18 21 1 0 0 0
17 22 1 0 0 0
22 23 1 0 0 0
3 23 1 0 0 0
23 24 1 0 0 0
24 25 1 0 0 0
4 25 1 0 0 0
25 26 2 0 0 0
23 27 1 6 0 0
16 28 1 0 0 0
28 29 1 6 0 0
28 30 1 0 0 0
30 31 2 0 0 0
30 32 1 0 0 0
15 32 1 0 0 0
15 33 1 1 0 0
M END
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银杏内酯B MDL: MFCD05662347
银杏内酯B InChIKey: SQOJOAFXDQDRGF-MAGGBRLHSA-N
银杏内酯B Inchi: 1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17?,18?,19-,20?/m1/s1
银杏内酯B SMILES: O[C@H]1[C@]2([H])OC([C@@H](C)[C@]2(O)C23C(=O)O[C@@]4([H])C12C1([C@H](C(O[C@@]1([H])O3)=O)O)[C@@H](C4)C(C)(C)C)=O