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CHEBI:80796 - Atractylone

ChEBI IDCHEBI:80796
ChEBI NameAtractylone
Stars
DownloadsMolfile
FormulaC15H20O
Net Charge0
Average Mass216.324
Monoisotopic Mass216.15142
SMILES[H][C@@]12Cc3c(C)coc3C[C@@]1(C)CCCC2=C
InChIInChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1
InChIKeyTYPSVDGIQAOBAD-DZGCQCFKSA-N
ChEBI Ontology
Outgoing Relation(s)
Atractylone (CHEBI:80796) is a sesquiterpenoid (CHEBI:26658)
Synonyms  Source
AtractylolKEGG COMPOUND
AtractyloxideKEGG COMPOUND
Manual XrefsDatabases
C16919KEGG COMPOUND
Registry NumbersSources
CAS:6989-21-5KEGG COMPOUND