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CHEBI:208226 - Pestalol A

ChEBI IDCHEBI:208226
ChEBI NamePestalol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O2
Net Charge0
Average Mass288.431
Monoisotopic Mass288.20893
SMILESCCCCC/C=C/c1c(CC=C(C)C)ccc(O)c1CO
InChIInChI=1S/C19H28O2/c1-4-5-6-7-8-9-17-16(11-10-15(2)3)12-13-19(21)18(17)14-20/h8-10,12-13,20-21H,4-7,11,14H2,1-3H3/b9-8+
InChIKeyUIEWBQGUOPWCDD-CMDGGOBGSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies AcBC2 (ncbitaxon:1128078) - PubMed (24690916)
ChEBI Ontology
Outgoing Relation(s)
Pestalol A (CHEBI:208226) is a benzyl alcohols (CHEBI:22743)
IUPAC Name 
3-[(E)-hept-1-enyl]-2-(hydroxymethyl)-4-(3-methylbut-2-enyl)phenol
Manual XrefsDatabases
32674665ChemSpider