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quercetin 3,3'-bissulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2423

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

formula

C₁₅H₇O₁₃S₂

charge

-3

mass

458.93445

reference

chebi:58305

InChIKey

CVENNDDRCHLONB-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)6-1-2-8(17)10(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(O)c(OS(=O)(=O)[O-])c2)oc2cc([O-])cc(O)c12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58305 chebi:58305	quercetin 3,3'-bissulfate 2-hydroxy-5-[5-hydroxy-7-oxido-4-oxo-3-(sulfonatooxy)-4H-chromen-2-yl]phenyl sulfate quercetin 3,3'-bissulfate trianion quercetin 3,3'-bissulfate(3-)
kegg.compound:C01155 keggC:C01155	Quercetin 3,3'-bissulfate
seed.compound:cpd00849 seedM:cpd00849	Quercetin 3,3'-bissulfate quercetin-3,3'-bissulfate quercetin-3,3-bissulfate
lipidmaps:LMPK12112308 lipidmapsM:LMPK12112308	Quercetin 3,3'-di-O-sulfate
CHEBI:17875 chebi:17875	quercetin 3,3'-bissulfate 5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4-oxo-4H-chromen-3-yl hydrogen sulfate Quercetin 3,3'-bissulfate quercetin 3,3'-bis(hydrogen sulfate)
metacyc.compound:QUERCETIN-33-BISSULFATE metacycM:QUERCETIN-33-BISSULFATE	quercetin-3,3'-bissulfate
chebi:14993 chebi:26474 chebi:8698 keggC:M_C01155 seedM:M_cpd00849	secondary/obsolete/fantasy identifier