3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside

Properties Image MNX_ID MNXM24531 reference lipidmapsM:LMPK12111621 formula C21H20O12 global charge 0 mol weight 464.379 InChIKey WLCYEFFWFTVKQR-GFOOFYSOSA-N InChI InChI=1S/C21H20O12/c22-6-12-15(26)17(28)19(30)21(33-12)32-10-3-1-2-8(24)14(10)20-18(29)16(27)13-9(25)4-7(23)5-11(13)31-20/h1-5,12,15,17,19,21-26,28-30H,6H2/t12-,15-,17+,19-,21-/m1/s1 SMILES O=C1C(O)=C(C2=C(O)C=CC=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC2=CC(O)=CC(O)=C12 MNX internals InChI (mnx) InChI=1/C21H20O12/c22-6-12-15(26)17(28)19(30)21(33-12)32-10-3-1-2-8(24)14(10)20-18(29)16(27)13-9(25)4-7(23)5-11(13)31-20/h1-5,12,15,17,19,21-26,28-30H,6H2/t12-,15-,17+,19-,21-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:8]([OH:24])=[C:14]([C:20]2=[C:18]([OH:29])[C:16](=[O:27])[C:13]3=[C:9]([OH:25])[CH:4]=[C:7]([OH:23])[CH:5]=[C:11]3[O:31]2)[C:10]([O:32][C@H:21]2[C@H:19]([OH:30])[C@@H:17]([OH:28])[C@H:15]([OH:26])[C@@H:12]([CH2:6][OH:22])[O:33]2)=[CH:3]1

Parent-child relations graph

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