aflatoxin B1 endo-8,9-oxide

Properties Image MNX_ID MNXM15762 reference chebi:78586 formula C17H12O7 global charge 0 mol weight 328.276 InChIKey KHBXRZGALJGBPA-NQZOLGFYSA-N InChI InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14+,16+,17-/m1/s1 SMILES COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2C(=C1)O[C@H]1O[C@H]3O[C@H]3[C@@H]21 MNX internals InChI (mnx) InChI=1/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14+,16+,17-/m1/s1 SMILES (mnx) [CH3:1][O:20][C:7]1=[C:10]2[C:5]3=[C:9]([C:6](=[O:18])[CH2:3][CH2:2]3)[C:15](=[O:19])[O:22][C:13]2=[C:11]2[C:8](=[CH:4]1)[O:21][C@@H:16]1[C@H:12]2[C@H:14]2[C@H:17]([O:23]2)[O:24]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0