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glycitein 4'-O-glucuronide

Properties

Image

Occurences in reactions

MNX_ID

MNXM126232

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

formula

C₂₂H₂₀O₁₁

charge

mass

460.10056

reference

chebi:133667

InChIKey

FXGSRMKCZRQRER-SXFAUFNYSA-N

InChI

InChI=1S/C22H20O11/c1-30-15-6-11-14(7-13(15)23)31-8-12(16(11)24)9-2-4-10(5-3-9)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1

SMILES

COc1cc2c(=O)c(-c3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc2cc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:133667 chebi:133667	glycitein 4'-O-glucuronide 4-(7-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-3-yl)phenyl beta-D-glucopyranosiduronic acid glycitein 4'-O-beta-D-glucuronide glycitein 4'-O-beta-glucuronide
hmdb:HMDB0041740	Glycitein 4'-O-glucuronide (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-6-methoxy-4-oxo-4H-chromen-3-yl)phenoxy]oxane-2-carboxylic acid (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-6-methoxy-4-oxochromen-3-yl)phenoxy]oxane-2-carboxylic acid Glycitein 4'-O-b-D-glucuronide Glycitein 4'-O-b-glucuronide Glycitein 4'-O-beta-D-glucuronide Glycitein 4'-O-beta-glucuronide
hmdb:HMDB41740	secondary/obsolete/fantasy identifier