robustaflavone

Properties Image MNX_ID MNXM108573 reference chebi:8881 formula C30H18O10 global charge 0 mol weight 538.464 InChIKey BORWSEZUWHQTOK-UHFFFAOYSA-N InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-35,38H SMILES O=C1C=C(C2=CC=C(O)C(C3=C(O)C4=C(C=C3O)OC(C3=CC=C(O)C=C3)=CC4=O)=C2)OC2=C1C(O)=CC(O)=C2 MNX internals InChI (mnx) InChI=1/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-35,38H SMILES (mnx) [CH:1]1=[CH:4][C:15]([OH:31])=[CH:5][CH:2]=[C:13]1[C:23]1=[CH:11][C:22](=[O:37])[C:29]2=[C:26]([CH:12]=[C:20]([OH:35])[C:27]([C:17]3=[C:18]([OH:33])[CH:6]=[CH:3][C:14]([C:24]4=[CH:10][C:21](=[O:36])[C:28]5=[C:19]([OH:34])[CH:8]=[C:16]([OH:32])[CH:9]=[C:25]5[O:40]4)=[CH:7]3)=[C:30]2[OH:38])[O:39]1

Parent-child relations graph

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