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CHEBI:226153 - Pestalotioquinol C

ChEBI IDCHEBI:226153
ChEBI NamePestalotioquinol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O4
Net Charge0
Average Mass232.235
Monoisotopic Mass232.07356
SMILESC/C(C#Cc1cc(O)ccc1O)=C/CC(=O)O
InChIInChI=1S/C13H12O4/c1-9(3-7-13(16)17)2-4-10-8-11(14)5-6-12(10)15/h3,5-6,8,14-15H,7H2,1H3,(H,16,17)/b9-3-
InChIKeySYDBDLAFGYYBPC-OQFOIZHKSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis neglecta (ncbitaxon:173184) - PubMed (32283019)
ChEBI Ontology
Outgoing Relation(s)
Pestalotioquinol C (CHEBI:226153) is a hydroquinones (CHEBI:24646)
IUPAC Name 
(Z)-6-(2,5-dihydroxyphenyl)-4-methylhex-3-en-5-ynoic acid
Manual XrefsDatabases
85696887ChemSpider