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quercetin 3-sulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1591

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

formula

C₁₅H₈O₁₀S

charge

-2

mass

379.98491

reference

InChIKey

DNAYVNOVGHZZLH-UHFFFAOYSA-L

InChI

InChI=1S/C15H10O10S/c16-7-4-10(19)12-11(5-7)24-14(6-1-2-8(17)9(18)3-6)15(13(12)20)25-26(21,22)23/h1-5,16-19H,(H,21,22,23)/p-2

SMILES

O=c1c(OS(=O)(=O)[O-])c(-c2ccc(O)c(O)c2)oc2cc([O-])cc(O)c12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58254 chebi:58254	quercetin 3-sulfate 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxido-4-oxo-4H-chromen-3-yl sulfate quercetin 3-sulfate dianion quercetin 3-sulfate(2-)
lipidmaps:LMPK12112304 lipidmapsM:LMPK12112304	Quercetin 3-O-sulfate
sabiork.compound:5161 sabiorkM:5161 kegg.compound:C00616 keggC:C00616	Quercetin 3-sulfate
seed.compound:cpd00471 seedM:cpd00471	Quercetin 3-sulfate quercetin 3-sulfate
metacyc.compound:CPD-1822 metacycM:CPD-1822	quercetin 3-sulfate
CHEBI:17730 chebi:17730	quercetin 3-sulfate 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl hydrogen sulfate 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(sulfooxy) Quercetin 3-sulfate quercetin 3-(hydrogen sulfate) quercetin 3-O-sulfate quercetin 3-monosulphate
chebi:14995 chebi:26479 chebi:8703 keggC:M_C00616 seedM:M_cpd00471	secondary/obsolete/fantasy identifier