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> Main
CHEBI:156556 - resorcinol monobenzoate
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ChEBI Name
resorcinol monobenzoate
ChEBI ID
CHEBI:156556
Definition
A benzoate ester resulting from the formal condensation of benzoic acid with resorcinol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C13H10O3
Net Charge
0
Average Mass
214.220
Monoisotopic Mass
214.06299
InChI
InChI=1S/C13H10O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9,14H
InChIKey
GDESWOTWNNGOMW-UHFFFAOYSA-N
SMILES
OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1
Roles Classification
Biological Role
(s):
allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
resorcinol monobenzoate (
CHEBI:156556
)
has functional parent
resorcinol (
CHEBI:27810
)
resorcinol monobenzoate (
CHEBI:156556
)
has role
allergen (
CHEBI:50904
)
resorcinol monobenzoate (
CHEBI:156556
)
is a
benzoate ester (
CHEBI:36054
)
IUPAC Name
3-hydroxyphenyl benzoate
Synonyms
Sources
3-benzoyloxyphenol
ChEBI
m
-hydroxyphenyl benzoate
ChEBI
Registry Number
Type
Source
136-36-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
1235072
PubMed citation
Europe PMC
12492525
PubMed citation
Europe PMC
1451477
PubMed citation
Europe PMC
32767362
PubMed citation
Europe PMC
32785935
PubMed citation
Europe PMC
4724139
PubMed citation
Europe PMC
9669135
PubMed citation
Europe PMC
Last Modified
29 September 2020