Apigenin 7-(2''-glucuronosyllactate)

Properties Image MNX_ID MNXM42337 reference lipidmapsM:LMPK12110378 formula C24H22O13 global charge 0 mol weight 518.427 InChIKey RIEOGMJFSBPALR-DQEXIFFZSA-N InChI InChI=1S/C24H22O13/c1-9(34-24-20(30)18(28)19(29)21(37-24)22(31)32)23(33)35-12-6-13(26)17-14(27)8-15(36-16(17)7-12)10-2-4-11(25)5-3-10/h2-9,18-21,24-26,28-30H,1H3,(H,31,32)/t9?,18-,19-,20+,21-,24+/m0/s1 SMILES CC(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC1=CC2=C(C(=O)C=C(C3=CC=C(O)C=C3)O2)C(O)=C1 MNX internals InChI (mnx) InChI=1/C24H22O13/c1-9(34-24-20(30)18(28)19(29)21(37-24)22(31)32)23(33)35-12-6-13(26)17-14(27)8-15(36-16(17)7-12)10-2-4-11(25)5-3-10/h2-9,18-21,24-26,28-30H,1H3,(H,31,32)/t9?,18-,19-,20+,21-,24+/m0/s1 SMILES (mnx) [CH3:1][CH:9]([C:23](=[O:33])[O:35][C:12]1=[CH:6][C:13]([OH:26])=[C:17]2[C:14](=[O:27])[CH:8]=[C:15]([C:10]3=[CH:3][CH:5]=[C:11]([OH:25])[CH:4]=[CH:2]3)[O:36][C:16]2=[CH:7]1)[O:34][C@H:24]1[C@H:20]([OH:30])[C@@H:18]([OH:28])[C@H:19]([OH:29])[C@@H:21]([C:22](=[O:31])[OH:32])[O:37]1

Parent-child relations graph

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