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CHEBI:198146 - Pestalol C

ChEBI IDCHEBI:198146
ChEBI NamePestalol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O4
Net Charge0
Average Mass320.429
Monoisotopic Mass320.19876
SMILESCCCCCC=Cc1c(C[C@H](O)C(C)(C)O)ccc(O)c1C=O
InChIInChI=1S/C19H28O4/c1-4-5-6-7-8-9-15-14(12-18(22)19(2,3)23)10-11-17(21)16(15)13-20/h8-11,13,18,21-23H,4-7,12H2,1-3H3/t18-/m0/s1
InChIKeyCKOAUYZTCAMGDC-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies AcBC2 (ncbitaxon:1128078) - PubMed (24690916)
ChEBI Ontology
Outgoing Relation(s)
Pestalol C (CHEBI:198146) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name 
3-(2,3-dihydroxy-3-methylbutyl)-2-hept-1-enyl-6-hydroxybenzaldehyde