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CHEBI:68078 - methyl 2-(4-hydroxyphenyl)acetate

ChEBI IDCHEBI:68078
ChEBI Namemethyl 2-(4-hydroxyphenyl)acetate
Stars
DefinitionA methyl ester resulting from the formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with methanol. It has been isolated from Penicillium chrysogenum.
Last Modified6 March 2015
DownloadsMolfile
FormulaC9H10O3
Net Charge0
Average Mass166.176
Monoisotopic Mass166.06299
SMILESCOC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3
InChIKeyXGDZEDRBLVIUMX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) mycelium (BTO:0001436) PubMed (21381678) Fungus isolated from the root surface of Rhizophora stylosa, EtOAc extract of fermentation broth Strain: PXP 55
Cordyceps sinensis (ncbitaxon:72228) mycelium (BTO:0001436) PubMed (21848266) Ethanolic extract of dried mycelia
Roles Classification
Biological Role:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
ChEBI Ontology
Outgoing Relation(s)
methyl 2-(4-hydroxyphenyl)acetate (CHEBI:68078) has functional parent 4-hydroxyphenylacetic acid (CHEBI:18101)
methyl 2-(4-hydroxyphenyl)acetate (CHEBI:68078) has role Penicillium metabolite (CHEBI:76964)
methyl 2-(4-hydroxyphenyl)acetate (CHEBI:68078) is a methyl ester (CHEBI:25248)
methyl 2-(4-hydroxyphenyl)acetate (CHEBI:68078) is a phenols (CHEBI:33853)
IUPAC Name 
methyl (4-hydroxyphenyl)acetate
Synonym  Source
4-hydroxybenzeneacetic acid methyl esterChEBI
Registry NumbersSources
Reaxys:2087538Reaxys
CAS:14199-15-6ChemIDplus
Citations