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ChEBI
> Main
CHEBI:64681 - phenol
O
-(β-
D
-glucuronide)
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ChEBI Ontology
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ChEBI Name
phenol
O
-(β-
D
-glucuronide)
ChEBI ID
CHEBI:64681
ChEBI ASCII Name
phenol O-(beta-D-glucuronide)
Definition
A β-
D
-glucosiduronic acid that is the glucuronide conjugate of phenol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Bijay
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Formula
C12H14O7
Net Charge
0
Average Mass
270.23540
Monoisotopic Mass
270.07395
InChI
InChI=1S/C12H14O7/c13-
7-
8(14)
10(11(16)
17)
19-
12(9(7)
15)
18-
6-
4-
2-
1-
3-
5-
6/h1-
5,7-
10,12-
15H,(H,16,17)
/t7-
,8-
,9+,10-
,12+/m0/s1
InChIKey
WVHAUDNUGBNUDZ-GOVZDWNOSA-N
SMILES
O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)Oc1ccccc1
ChEBI Ontology
Outgoing
phenol
O
-(β-
D
-glucuronide) (
CHEBI:64681
)
has functional parent
phenol (
CHEBI:15882
)
phenol
O
-(β-
D
-glucuronide) (
CHEBI:64681
)
is a
β-
D
-glucosiduronic acid (
CHEBI:15341
)
IUPAC Name
phenyl β-
D
-glucopyranosiduronic acid
Synonyms
Sources
Phenyl beta-D-glucopyranosiduronic acid
ChemIDplus
phenyl β-
D
-glucosiduronic acid
ChEBI
phenyl β-
D
-glucuronide
ChEBI
phenyl β-glucuronide
ChEBI
phenyl glucuronide
ChEBI
Registry Numbers
Types
Sources
17685-05-1
CAS Registry Number
ChemIDplus
89117
Reaxys Registry Number
Reaxys
Citations
Types
Sources
18420782
PubMed citation
Europe PMC
20020864
PubMed citation
Europe PMC
212246
PubMed citation
Europe PMC
3770959
PubMed citation
Europe PMC
3875188
PubMed citation
Europe PMC
6880243
PubMed citation
Europe PMC
Last Modified
28 May 2012