EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214141 - Penostatin E

ChEBI IDCHEBI:214141
ChEBI NamePenostatin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCCCCCCCC(O)/C=C/C(C)=C\C1C(O)C(=O)C=C2C=CCC21
InChIInChI=1S/C22H32O3/c1-3-4-5-6-7-10-18(23)13-12-16(2)14-20-19-11-8-9-17(19)15-21(24)22(20)25/h8-9,12-15,18-20,22-23,25H,3-7,10-11H2,1-2H3/b13-12+,16-14-
InChIKeyCOBSXLQCUDCOES-LIACPWMRSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/s0040-4020(99)00884-4)
ChEBI Ontology
Outgoing Relation(s)
Penostatin E (CHEBI:214141) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
6-hydroxy-7-[(1Z,3E)-5-hydroxy-2-methyldodeca-1,3-dienyl]-1,6,7,7a-tetrahydroinden-5-one
Manual XrefsDatabases
10477886ChemSpider