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CHEBI:17875 - quercetin 3,3'-bissulfate
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ChEBI Name
quercetin 3,3'-bissulfate
ChEBI ID
CHEBI:17875
Definition
A quercetin bissulfate having sulfo groups at positions 3 and 3'.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:8698, CHEBI:14993, CHEBI:26474
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Formula
C15H10O13S2
Net Charge
0
Average Mass
462.36200
Monoisotopic Mass
461.95628
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)
InChIKey
CVENNDDRCHLONB-UHFFFAOYSA-N
SMILES
Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(OS(O)(=O)=O)c1)c(OS(O)(=O)=O)c2=O
ChEBI Ontology
Outgoing
quercetin 3,3'-bissulfate (
CHEBI:17875
)
is a
quercetin bissulfate (
CHEBI:26481
)
quercetin 3,3'-bissulfate (
CHEBI:17875
)
is a
trihydroxyflavone (
CHEBI:27116
)
quercetin 3,3'-bissulfate (
CHEBI:17875
)
is conjugate acid of
quercetin 3,3'-bissulfate(3−) (
CHEBI:58305
)
Incoming
quercetin 3,3'-bissulfate(3−) (
CHEBI:58305
)
is conjugate base of
quercetin 3,3'-bissulfate (
CHEBI:17875
)
IUPAC Name
5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4-oxo-4
H
-chromen-3-yl hydrogen sulfate
Synonyms
Sources
quercetin 3,3'-bis(hydrogen sulfate)
ChEBI
Quercetin 3,3'-bissulfate
KEGG COMPOUND
Manual Xrefs
Databases
C00004960
KNApSAcK
C01155
KEGG COMPOUND
QUERCETIN-33-BISSULFATE
MetaCyc
View more database links
Registry Number
Type
Source
3639579
Reaxys Registry Number
Reaxys
Last Modified
28 July 2014