aspergillusone A

Properties Image MNX_ID MNXM102871 reference chebi:68221 formula C16H14O6 global charge 0 mol weight 302.282 InChIKey LPMOHIIEWMTZSE-OQPBUACISA-N InChI InChI=1S/C16H14O6/c1-7-5-9(18)12-11(6-7)22-10-4-3-8(17)13(16(20)21-2)14(10)15(12)19/h3-6,8,13,17-18H,1-2H3/t8-,13+/m1/s1 SMILES COC(=O)[C@@H]1C2=C(C=C[C@H]1O)OC1=C(C2=O)C(O)=CC(C)=C1 MNX internals InChI (mnx) InChI=1/C16H14O6/c1-7-5-9(18)12-11(6-7)22-10-4-3-8(17)13(16(20)21-2)14(10)15(12)19/h3-6,8,13,17-18H,1-2H3/t8-,13+/m1/s1 SMILES (mnx) [CH3:1][C:7]1=[CH:5][C:9]([OH:18])=[C:12]2[C:11](=[CH:6]1)[O:22][C:10]1=[C:14]([C@@H:13]([C:16](=[O:20])[O:21][CH3:2])[C@H:8]([OH:17])[CH:3]=[CH:4]1)[C:15]2=[O:19]

Parent-child relations graph

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