EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217038 - Penicillenol B2

ChEBI IDCHEBI:217038
ChEBI NamePenicillenol B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H25NO3
Net Charge0
Average Mass279.380
Monoisotopic Mass279.18344
SMILESC/C=C1\C(O)=C(C(=O)[C@@H](C)CCCCCC)C(=O)N1C
InChIInChI=1S/C16H25NO3/c1-5-7-8-9-10-11(3)14(18)13-15(19)12(6-2)17(4)16(13)20/h6,11,19H,5,7-10H2,1-4H3/b12-6+/t11-/m0/s1
InChIKeyFRKQEEBAWRDYCO-DREKTBMASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (18239314)
ChEBI Ontology
Outgoing Relation(s)
Penicillenol B2 (CHEBI:217038) is a pyrroline (CHEBI:23763)
IUPAC Name 
(5E)-5-ethylidene-4-hydroxy-1-methyl-3-(2-methyloctanoyl)pyrrol-2-one
Manual XrefsDatabases
78435663ChemSpider