EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207205 - Isocrotonylpterosin B

ChEBI IDCHEBI:207205
ChEBI NameIsocrotonylpterosin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O3
Net Charge0
Average Mass286.371
Monoisotopic Mass286.15689
SMILESC/C=C\C(=O)OCCc1c(C)cc2c(c1C)C(=O)[C@@H](C)C2
InChIInChI=1S/C18H22O3/c1-5-6-16(19)21-8-7-15-11(2)9-14-10-12(3)18(20)17(14)13(15)4/h5-6,9,12H,7-8,10H2,1-4H3/b6-5-/t12-/m0/s1
InChIKeyGBAZYZXBOHZLRR-FJOGCWAESA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (709697)
ChEBI Ontology
Outgoing Relation(s)
Isocrotonylpterosin B (CHEBI:207205) is a indanones (CHEBI:24789)
IUPAC Name 
2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)ethyl (Z)-but-2-enoate
Manual XrefsDatabases
4477085ChemSpider