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CHEBI:17730 - quercetin 3-sulfate
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ChEBI Ontology
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ChEBI Name
quercetin 3-sulfate
ChEBI ID
CHEBI:17730
Definition
A quercetin sulfate with a sulfo group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:8703, CHEBI:14995, CHEBI:26479
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Formula
C15H10O10S
Net Charge
0
Average Mass
382.29990
Monoisotopic Mass
381.99947
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)
InChIKey
DNAYVNOVGHZZLH-UHFFFAOYSA-N
SMILES
Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OS(O)(=O)=O)c2=O
ChEBI Ontology
Outgoing
quercetin 3-sulfate (
CHEBI:17730
)
is a
quercetin sulfate (
CHEBI:26482
)
quercetin 3-sulfate (
CHEBI:17730
)
is a
tetrahydroxyflavone (
CHEBI:38684
)
quercetin 3-sulfate (
CHEBI:17730
)
is conjugate acid of
quercetin 3-sulfate(2−) (
CHEBI:58254
)
Incoming
quercetin 3-sulfate(2−) (
CHEBI:58254
)
is conjugate base of
quercetin 3-sulfate (
CHEBI:17730
)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4
H
-chromen-3-yl hydrogen sulfate
Synonyms
Sources
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(sulfooxy)
ChemIDplus
quercetin 3-(hydrogen sulfate)
ChEBI
quercetin 3-monosulphate
ChEBI
quercetin 3-
O
-sulfate
ChEBI
Quercetin 3-sulfate
KEGG COMPOUND
Manual Xrefs
Databases
C00004956
KNApSAcK
C00616
KEGG COMPOUND
CPD-1822
MetaCyc
LMPK12112304
LIPID MAPS
Quercetin_3-O-sulfate
Wikipedia
View more database links
Registry Numbers
Types
Sources
60889-05-6
CAS Registry Number
ChemIDplus
6669649
Reaxys Registry Number
Reaxys
Citation
Type
Source
7411385
PubMed citation
Europe PMC
Last Modified
28 July 2014