demethylkotanin

Properties Image MNX_ID MNXM49018 reference chebi:64465 formula C23H20O8 global charge 0 mol weight 424.405 InChIKey WNAATGJTLYDMRY-UHFFFAOYSA-N InChI InChI=1S/C23H20O8/c1-10-6-12(24)20(22-18(10)14(28-4)8-16(25)30-22)21-13(27-3)7-11(2)19-15(29-5)9-17(26)31-23(19)21/h6-9,24H,1-5H3 SMILES COC1=CC(=O)OC2=C(C3=C(OC)C=C(C)C4=C3OC(=O)C=C4OC)C(O)=CC(C)=C12 MNX internals InChI (mnx) InChI=1/C23H20O8/c1-10-6-12(24)20(22-18(10)14(28-4)8-16(25)30-22)21-13(27-3)7-11(2)19-15(29-5)9-17(26)31-23(19)21/h6-9,24H,1-5H3 SMILES (mnx) [CH3:1][C:10]1=[CH:6][C:12]([OH:24])=[C:20]([C:21]2=[C:13]([O:27][CH3:3])[CH:7]=[C:11]([CH3:2])[C:19]3=[C:23]2[O:31][C:17](=[O:26])[CH:9]=[C:15]3[O:29][CH3:5])[C:22]2=[C:18]1[C:14]([O:28][CH3:4])=[CH:8][C:16](=[O:25])[O:30]2

Parent-child relations graph

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