EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197979 - Pestalol D

ChEBI IDCHEBI:197979
ChEBI NamePestalol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESC[C@H](O)CCCC=Cc1cccc(O)c1C=O
InChIInChI=1S/C14H18O3/c1-11(16)6-3-2-4-7-12-8-5-9-14(17)13(12)10-15/h4-5,7-11,16-17H,2-3,6H2,1H3/t11-/m0/s1
InChIKeyIXCJIFVAQRHSSH-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies AcBC2 (ncbitaxon:1128078) - PubMed (24690916)
ChEBI Ontology
Outgoing Relation(s)
Pestalol D (CHEBI:197979) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
2-hydroxy-6-(6-hydroxyhept-1-enyl)benzaldehyde