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CHEBI:58254 - quercetin 3-sulfate(2−)
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ChEBI Name
quercetin 3-sulfate(2−)
ChEBI ID
CHEBI:58254
ChEBI ASCII Name
quercetin 3-sulfate(2-)
Definition
A flavonoid oxoanion arising from deprotonation of the 7-hydroxy and sufo groups of quercetin 3-sulfate; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H8O10S
Net Charge
-2
Average Mass
380.28300
Monoisotopic Mass
379.98491
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
InChIKey
DNAYVNOVGHZZLH-UHFFFAOYSA-L
SMILES
Oc1ccc(cc1O)-c1oc2cc([O-])cc(O)c2c(=O)c1OS([O-])(=O)=O
ChEBI Ontology
Outgoing
quercetin 3-sulfate(2−) (
CHEBI:58254
)
is a
aryl sulfate oxoanion (
CHEBI:139371
)
quercetin 3-sulfate(2−) (
CHEBI:58254
)
is a
flavonoid oxoanion (
CHEBI:60038
)
quercetin 3-sulfate(2−) (
CHEBI:58254
)
is conjugate base of
quercetin 3-sulfate (
CHEBI:17730
)
Incoming
quercetin 3-sulfate (
CHEBI:17730
)
is conjugate acid of
quercetin 3-sulfate(2−) (
CHEBI:58254
)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxido-4-oxo-4
H
-chromen-3-yl sulfate
Synonyms
Sources
quercetin 3-sulfate
UniProt
quercetin 3-sulfate dianion
ChEBI
Manual Xref
Database
CPD-1822
MetaCyc
View more database links
Last Modified
13 February 2018