phloretin glucuronide

Properties Image MNX_ID MNXM129267 reference chebi:140400 formula C21H22O11 global charge 0 mol weight 450.396 InChIKey YFJJAJIWPWXWJJ-ZFORQUDYSA-N InChI InChI=1S/C21H22O11/c22-10-4-1-9(2-5-10)3-6-12(24)15-13(25)7-11(23)8-14(15)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h1-2,4-5,7-8,16-19,21-23,25-28H,3,6H2,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1 SMILES O=C(CCC1=CC=C(O)C=C1)C1=C(O)C=C(O)C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C21H22O11/c22-10-4-1-9(2-5-10)3-6-12(24)15-13(25)7-11(23)8-14(15)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h1-2,4-5,7-8,16-19,21-23,25-28H,3,6H2,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1 SMILES (mnx) [CH:1]1=[CH:4][C:10]([OH:22])=[CH:5][CH:2]=[C:9]1[CH2:3][CH2:6][C:12]([C:15]1=[C:13]([OH:25])[CH:7]=[C:11]([OH:23])[CH:8]=[C:14]1[O:31][C@H:21]1[C@H:18]([OH:28])[C@@H:16]([OH:26])[C@H:17]([OH:27])[C@@H:19]([C:20](=[O:29])[OH:30])[O:32]1)=[O:24]

Parent-child relations graph

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