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baicalin

Properties

Image

Occurences in reactions

MNX_ID

MNXM733020

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₁H₁₇O₁₁

charge

-1

mass

445.07763

reference

chebi:61283

InChIKey

IKIIZLYTISPENI-ZFORQUDYSA-M

InChI

InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/p-1/t16-,17-,18+,19-,21+/m0/s1

SMILES

O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61283 chebi:61283	baicalin 5,6,7-trihydroxyflavone 7-O-beta-D-glucuronate 5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronate baicalein 7-O-beta-D-glucuronate baicalin(1-)
hmdb:HMDB0041832	Baicalin (2S,3S,4S,5R,6R)-6-[(5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate (2S,3S,4S,5R,6R)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (2S,3S,4S,5R,6R)-6-[(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 5,6,7-Trihydroxyflavone 7-O-beta-D-glucuronide 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid 5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid 7-D-Glucuronic acid-5,6-dihydroxyflavone Baicalein 7-O-glucuronide
seed.compound:cpd06915 seedM:cpd06915	Baicalin 5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid 7-D-glucuronic acid-5,6-dihydroxyflavone Baicalein 7-O-glucuronide baicalein 7-O-glucuronide baicalin
sabiork.compound:12110 sabiorkM:12110 kegg.compound:C10025 keggC:C10025	Baicalin Baicalein 7-O-glucuronide
lipidmaps:LMPK12111081 lipidmapsM:LMPK12111081	Baicalin Baicalein 7-glucuronide
CHEBI:2981 chebi:2981	baicalin 5,6,7-trihydroxyflavone 7-O-beta-D-glucuronide 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid 7-D-glucuronic acid-5,6-dihydroxyflavone Baicalin baicalein 7-O-glucuronide baicalein 7-glucuronide
metacyc.compound:CPD-12725 metacycM:CPD-12725	baicalin 5,6,7-trihydroxyflavone-7-O-beta-D-glucuronate 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid 7-D-glucuronic acid-5,6-dihydroxyflavone baicalein 7-O-glucuronide
hmdb:HMDB41832 keggC:M_C10025 seedM:M_cpd06915	secondary/obsolete/fantasy identifier