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CHEBI:205235 - Pestalol B

ChEBI IDCHEBI:205235
ChEBI NamePestalol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILESCC(C)=CCc1ccc(O)c(C=O)c1C=CCCC[C@H](C)O
InChIInChI=1S/C19H26O3/c1-14(2)9-10-16-11-12-19(22)18(13-20)17(16)8-6-4-5-7-15(3)21/h6,8-9,11-13,15,21-22H,4-5,7,10H2,1-3H3/t15-/m0/s1
InChIKeyVNPZQZKWSOMLFI-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies AcBC2 (ncbitaxon:1128078) - PubMed (24690916)
ChEBI Ontology
Outgoing Relation(s)
Pestalol B (CHEBI:205235) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
6-hydroxy-2-(6-hydroxyhept-1-enyl)-3-(3-methylbut-2-enyl)benzaldehyde