6-demethylsterigmatocystin

Properties Image MNX_ID MNXM3516 reference chebi:18236 formula C17H10O6 global charge 0 mol weight 310.261 InChIKey RQQOEIJLJPCYJR-BWKAKNAASA-N InChI InChI=1S/C17H10O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-7,17-19H/t7-,17+/m0/s1 SMILES O=C1C2=C(C=CC=C2O)OC2=C1C(O)=CC1=C2[C@@H]2C=CO[C@@H]2O1 MNX internals InChI (mnx) InChI=1/C17H10O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-7,17-19H/t7-,17+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C:8]([OH:18])=[C:13]2[C:10](=[CH:3]1)[O:22][C:16]1=[C:12]3[C@@H:7]4[CH:4]=[CH:5][O:21][C@@H:17]4[O:23][C:11]3=[CH:6][C:9]([OH:19])=[C:14]1[C:15]2=[O:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 1