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CHEBI:180746 - 8-Epixanthatin

ChEBI IDCHEBI:180746
ChEBI Name8-Epixanthatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILESC=C1C(=O)OC2CC(C)C(C=CC(C)=O)=CCC12
InChIInChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3
InChIKeyRBRPTFMVULVGIC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
8-Epixanthatin (CHEBI:180746) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
7-methyl-3-methylidene-6-(3-oxobut-1-enyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]uran-2-one
Manual XrefsDatabases
249071ChemSpider