EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181926 - Luffariellolide

ChEBI IDCHEBI:181926
ChEBI NameLuffariellolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O3
Net Charge0
Average Mass386.576
Monoisotopic Mass386.28210
SMILESCC1=C(CC/C(C)=C/CC/C(C)=C/CCC2=CC(=O)OC2O)C(C)(C)CCC1
InChIInChI=1S/C25H38O3/c1-18(11-7-13-21-17-23(26)28-24(21)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17,24,27H,6-9,12-16H2,1-5H3/b18-11+,19-10+
InChIKeyJPWPYTMXSXYUPG-QZPYEDBESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
Luffariellolide (CHEBI:181926) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
3-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,7-dienyl]-2-hydroxy-2H-uran-5-one
Manual XrefsDatabases
4533821ChemSpider
C19901KEGG COMPOUND
Registry NumbersSources
CAS:111149-87-2ChemIDplus