5,6,7,3',4'-Pentahydroxy-8-methoxyflavone 7-apioside

Properties Image MNX_ID MNXM23850 reference lipidmapsM:LMPK12111456 formula C21H20O12 global charge 0 mol weight 464.379 InChIKey IXFAKKDXPKSFDT-PCCBWWKXSA-N InChI InChI=1S/C21H20O12/c1-30-18-16-13(11(25)5-12(32-16)8-2-3-9(23)10(24)4-8)14(26)15(27)17(18)33-20-19(28)21(29,6-22)7-31-20/h2-5,19-20,22-24,26-29H,6-7H2,1H3/t19-,20-,21+/m0/s1 SMILES COC1=C(O[C@@H]2OC[C@](O)(CO)[C@H]2O)C(O)=C(O)C2=C1OC(C1=CC(O)=C(O)C=C1)=CC2=O MNX internals InChI (mnx) InChI=1/C21H20O12/c1-30-18-16-13(11(25)5-12(32-16)8-2-3-9(23)10(24)4-8)14(26)15(27)17(18)33-20-19(28)21(29,6-22)7-31-20/h2-5,19-20,22-24,26-29H,6-7H2,1H3/t19-,20-,21+/m0/s1 SMILES (mnx) [CH3:1][O:30][C:18]1=[C:16]2[C:13](=[C:14]([OH:26])[C:15]([OH:27])=[C:17]1[O:33][C@H:20]1[C@H:19]([OH:28])[C@:21]([CH2:6][OH:22])([OH:29])[CH2:7][O:31]1)[C:11](=[O:25])[CH:5]=[C:12]([C:8]1=[CH:4][C:10]([OH:24])=[C:9]([OH:23])[CH:3]=[CH:2]1)[O:32]2

Parent-child relations graph

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