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CHEBI:6922 - Micheliolide

ChEBI IDCHEBI:6922
ChEBI NameMicheliolide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])CCC(C)=C1CC[C@@](C)(O)[C@@]12[H]
InChIInChI=1S/C15H20O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15+/m0/s1
InChIKeyRDJAFOWISVMOJY-PWNZVWSESA-N
ChEBI Ontology
Outgoing Relation(s)
Micheliolide (CHEBI:6922) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
MicheliolideKEGG COMPOUND
Manual XrefsDatabases
C09507KEGG COMPOUND
C00003328KNApSAcK
Registry NumbersSources
CAS:68370-47-8KEGG COMPOUND