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quercetin 3,4',7-trissulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM723001

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₅H₁₀O₁₆S₃

charge

mass

541.9131

reference

chebi:28167

InChIKey

OHGDJKUWKHBWFH-UHFFFAOYSA-N

InChI

InChI=1S/C15H10O16S3/c16-8-3-6(1-2-10(8)30-33(22,23)24)14-15(31-34(25,26)27)13(18)12-9(17)4-7(5-11(12)28-14)29-32(19,20)21/h1-5,16-17H,(H,19,20,21)(H,22,23,24)(H,25,26,27)

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28167 chebi:28167	quercetin 3,4',7-trissulfate 5-hydroxy-2-[3-hydroxy-4-(sulfooxy)phenyl]-4-oxo-4H-chromene-3,7-diyl bis(hydrogen sulfate) Quercetin 3,4',7-trissulfate
kegg.compound:C03898 keggC:C03898	Quercetin 3,4',7-trissulfate
seed.compound:cpd02425 seedM:cpd02425	Quercetin 3,4',7-trissulfate quercetin 3, 4', 7-trisulfate quercetin 3, 7, 4'-trisulfate quercetin 3, 7, 4'-trisulphate quercetin 3, 7, 4-trisulphate
lipidmaps:LMPK12112311 lipidmapsM:LMPK12112311	Quercetin 3,7,4'-tri-O-sulfate
metacyc.compound:CPD-10893 metacycM:CPD-10893	quercetin 3, 4', 7-trisulfate quercetin 3, 7, 4'-trisulfate
chebi:26475 chebi:8699 keggC:M_C03898 seedM:M_cpd02425	secondary/obsolete/fantasy identifier