EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228951 - 15,16-Epoxy-5,10-seco-clerodan-1(10),2,4,13(16),14-pentaen-18,19-olide

ChEBI IDCHEBI:228951
ChEBI Name15,16-Epoxy-5,10-seco-clerodan-1(10),2,4,13(16),14-pentaen-18,19-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O3
Net Charge0
Average Mass312.409
Monoisotopic Mass312.17254
SMILESC[C@@H]1CCC2=C(/C=C\C=C\[C@@]1(C)CCc1ccoc1)C(=O)OC2
InChIInChI=1S/C20H24O3/c1-15-6-7-17-14-23-19(21)18(17)5-3-4-10-20(15,2)11-8-16-9-12-22-13-16/h3-5,9-10,12-13,15H,6-8,11,14H2,1-2H3/b5-3-,10-4+/t15-,20+/m1/s1
InChIKeyYOTWCVLUMOQAFC-CIGQNIJYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
15,16-Epoxy-5,10-seco-clerodan-1(10),2,4,13(16),14-pentaen-18,19-olide (CHEBI:228951) is a butenolide (CHEBI:50523)
IUPAC Name 
(6R,7S,8E,10Z)-7-[2-(uran-3-yl)ethyl]-6,7-dimethyl-3,4,5,6-tetrahydrocyclodeca[c]uran-1-one
Manual XrefsDatabases
558776ChemSpider