CHEBI:227330 - 1-O-acetylterricolyne

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-O-acetylterricolyne
ChEBI ID CHEBI:227330
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H14O4
Net Charge 0
Average Mass 234.251
Monoisotopic Mass 234.08921
InChI InChI=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
InChIKey HPYUVJOUOVWPNC-LBPRGKRZSA-N
SMILES O=C(OCC1=CC=C(OC[C@@H](O)C#C)C=C1)C
Metabolite of Species Details
Neurospora terricola (NCBI:txid88718) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
24654318 ChemSpider
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