aflatoxin B1 8,9-dihydrodiol

Properties Image MNX_ID MNXM40394 reference chebi:53106 formula C17H14O8 global charge 0 mol weight 346.291 InChIKey JRZBEIPOZPNWID-MIOCFURKSA-N InChI InChI=1S/C17H14O8/c1-22-7-4-8-11(12-13(19)16(21)25-17(12)23-8)14-10(7)5-2-3-6(18)9(5)15(20)24-14/h4,12-13,16-17,19,21H,2-3H2,1H3/t12-,13?,16?,17+/m1/s1 SMILES COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2C(=C1)O[C@H]1OC(O)C(O)[C@@H]21 MNX internals InChI (mnx) InChI=1/C17H14O8/c1-22-7-4-8-11(12-13(19)16(21)25-17(12)23-8)14-10(7)5-2-3-6(18)9(5)15(20)24-14/h4,12-13,16-17,19,21H,2-3H2,1H3/t12-,13?,16?,17+/m1/s1 SMILES (mnx) [CH3:1][O:22][C:7]1=[C:10]2[C:5]3=[C:9]([C:6](=[O:18])[CH2:3][CH2:2]3)[C:15](=[O:20])[O:24][C:14]2=[C:11]2[C:8](=[CH:4]1)[O:23][C@@H:17]1[C@H:12]2[CH:13]([OH:19])[CH:16]([OH:21])[O:25]1

Parent-child relations graph

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