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CHEBI:156556 - resorcinol monobenzoate

ChEBI IDCHEBI:156556
ChEBI Nameresorcinol monobenzoate
Stars
DefinitionA benzoate ester resulting from the formal condensation of benzoic acid with resorcinol.
Last Modified29 September 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC13H10O3
Net Charge0
Average Mass214.220
Monoisotopic Mass214.06299
SMILESO=C(Oc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C13H10O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9,14H
InChIKeyGDESWOTWNNGOMW-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
3-benzoyloxyphenolChEBI
m-hydroxyphenyl benzoateChEBI
Registry NumbersSources
CAS:136-36-7ChemIDplus
Citations