Catalog Number:
AG00AD6W
Chemical Name:
Naringenin 7-O-β-D-Glucuronide
(Mixture of Diastereomers)
CAS Number:
158196-34-0
Molecular Formula:
C21H20O11
Molecular Weight:
448.3769
MDL Number:
MFCD28899229
IUPAC Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylic acid
InChI:
InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13-,16-,17-,18+,19-,21+/m0/s1
InChI Key:
BDCRTIDKZGEVEN-CGXGPNJMSA-N
SMILES:
OC(=O)[C@H]1O[C@@H](Oc2cc3O[C@@H](CC(=O)c3c(c2)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
