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CHEBI:69958 - Atractylenolide III

ChEBI IDCHEBI:69958
ChEBI NameAtractylenolide III
Stars
DefinitionA natural product found in Atractylodes lancea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@@]12CC3=C(C)C(=O)O[C@@]3(O)C[C@@]1(C)CCCC2=C
InChIInChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
InChIKeyFBMORZZOJSDNRQ-GLQYFDAESA-N
Species of MetaboliteComponentSourceComments
Atractylodes lancea (ncbitaxon:69406) - PubMed (21302967)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Atractylenolide III (CHEBI:69958) has role metabolite (CHEBI:25212)
Atractylenolide III (CHEBI:69958) is a naphthofuran (CHEBI:39270)
Synonym  Source
(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-oneChEBI
Citations