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CHEBI:226158 - Pestalotioquinol D

ChEBI IDCHEBI:226158
ChEBI NamePestalotioquinol D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O4
Net Charge0
Average Mass232.235
Monoisotopic Mass232.07356
SMILESC=C(C#Cc1cc(O)ccc1O)CCC(=O)O
InChIInChI=1S/C13H12O4/c1-9(3-7-13(16)17)2-4-10-8-11(14)5-6-12(10)15/h5-6,8,14-15H,1,3,7H2,(H,16,17)
InChIKeyCWHAWBRRGGDPLH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis neglecta (ncbitaxon:173184) - PubMed (32283019)
ChEBI Ontology
Outgoing Relation(s)
Pestalotioquinol D (CHEBI:226158) is a hydroquinones (CHEBI:24646)
IUPAC Name 
6-(2,5-dihydroxyphenyl)-4-methylidenehex-5-ynoic acid
Manual XrefsDatabases
85696888ChemSpider