CHEBI:182501 - Atractylenolide II

ChEBI IDCHEBI:182501
ChEBI NameAtractylenolide II
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O2
Net Charge0
Average Mass232.323
Monoisotopic Mass232.14633
SMILES[H][C@@]12CC3=C(C)C(=O)O[C@@]3([H])C[C@@]1(C)CCCC2=C
InChIInChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h12-13H,1,4-8H2,2-3H3/t12-,13-,15+/m0/s1
InChIKeyOQYBLUDOOFOBPO-KCQAQPDRSA-N
ChEBI Ontology
Outgoing Relation(s)
Atractylenolide II (CHEBI:182501) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[][1]benzouran-2-one
Manual XrefsDatabases
23326813ChemSpider
C17886KEGG COMPOUND