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quercetin 3,4'-bissulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM3348

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

formula

C₁₅H₇O₁₃S₂

charge

-3

mass

458.93445

reference

chebi:58353

InChIKey

MUUFJLJGMRBUTO-UHFFFAOYSA-K

InChI

InChI=1S/C15H10O13S2/c16-7-4-9(18)12-11(5-7)26-14(15(13(12)19)28-30(23,24)25)6-1-2-10(8(17)3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)/p-3

SMILES

O=c1c(OS(=O)(=O)[O-])c(-c2ccc(OS(=O)(=O)[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:58353 chebi:58353	quercetin 3,4'-bissulfate 2-hydroxy-4-[5-hydroxy-7-oxido-4-oxo-3-(sulfonatooxy)-4H-chromen-2-yl]phenyl sulfate quercetin 3,4'-bissulfate trianion quercetin-7-olate 3,4'-bissulfate quercetin-7-olate 3,4'-bissulfate(3-)
kegg.compound:C01156 keggC:C01156	Quercetin 3,4'-bissulfate
seed.compound:cpd00850 seedM:cpd00850	Quercetin 3,4'-bissulfate quercetin-3,4'-bissulfate quercetin-3,4-bissulfate
lipidmaps:LMPK12112309 lipidmapsM:LMPK12112309	Quercetin 3,4'-di-O-sulfate
CHEBI:18030 chebi:18030	quercetin 3,4'-bissulfate 5,7-dihydroxy-2-[3-hydroxy-4-(sulfooxy)phenyl]-4-oxo-4H-chromen-3-yl hydrogen sulfate Quercetin 3,4'-bissulfate quercetin 3,4'-bis(hydrogen sulfate)
metacyc.compound:QUERCETIN-34-BISSULFATE metacycM:QUERCETIN-34-BISSULFATE	quercetin-3,4'-bissulfate
chebi:14994 chebi:26476 chebi:8700 keggC:M_C01156 seedM:M_cpd00850	secondary/obsolete/fantasy identifier