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CHEBI:227330 - 1-O-acetylterricolyne

ChEBI IDCHEBI:227330
ChEBI Name1-O-acetylterricolyne
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O4
Net Charge0
Average Mass234.251
Monoisotopic Mass234.08921
SMILESC#C[C@H](O)COc1ccc(COC(C)=O)cc1
InChIInChI=1S/C13H14O4/c1-3-12(15)9-17-13-6-4-11(5-7-13)8-16-10(2)14/h1,4-7,12,15H,8-9H2,2H3/t12-/m0/s1
InChIKeyHPYUVJOUOVWPNC-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Neurospora terricola (ncbitaxon:88718) - PubMed (19795843)
ChEBI Ontology
Outgoing Relation(s)
1-O-acetylterricolyne (CHEBI:227330) has functional parent benzyl alcohol (CHEBI:17987)
1-O-acetylterricolyne (CHEBI:227330) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[4-[(2S)-2-hydroxybut-3-ynoxy]phenyl]methyl acetate
Manual XrefsDatabases
24654318ChemSpider