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quercetin 3,3',7-trissulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4093

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

formula

C₁₅H₆O₁₆S₃

charge

-4

mass

537.88399

reference

chebi:77984

InChIKey

WWSKELVNYRIPTL-UHFFFAOYSA-J

InChI

InChI=1S/C15H10O16S3/c16-8-2-1-6(3-10(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)/p-4

SMILES

O=c1c(OS(=O)(=O)[O-])c(-c2ccc(O)c(OS(=O)(=O)[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:77984 chebi:77984	quercetin 3,3',7-trissulfate 2-[4-hydroxy-3-(sulfonatooxy)phenyl]-5-oxido-4-oxo-4H-chromene-3,7-diyl disulfate quercetin 3,3',7-trissulfate(4-)
kegg.compound:C03897 keggC:C03897	Quercetin 3,3',7-trissulfate
seed.compound:cpd02424 seedM:cpd02424	Quercetin 3,3',7-trissulfate quercetin 3,3',7-trissulfate
lipidmaps:LMPK12112310 lipidmapsM:LMPK12112310	Quercetin 3,7,3'-tri-O-sulfate
metacyc.compound:QUERCETIN-337-TRISSULFATE metacycM:QUERCETIN-337-TRISSULFATE	quercetin 3,3',7-trissulfate
CHEBI:57813 chebi:57813	quercetin 3,3',7-trissulfate(3-) 5-hydroxy-2-[4-hydroxy-3-(sulfonatooxy)phenyl]-4-oxo-4H-chromene-3,7-diyl disulfate quercetin 3,3',7-trissulfate trianion
CHEBI:16557 chebi:16557	quercetin 3,3',7-trissulfate 5-hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4-oxo-4H-chromene-3,7-diyl bis(hydrogen sulfate) Quercetin 3,3',7-trissulfate
chebi:14992 chebi:26473 chebi:8697 keggC:M_C03897 seedM:M_cpd02424	secondary/obsolete/fantasy identifier