CHEBI:80796 - Atractylone

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ChEBI Name Atractylone
ChEBI ID CHEBI:80796
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H20O
Net Charge 0
Average Mass 216.31870
Monoisotopic Mass 216.15142
InChI InChI=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
InChIKey TYPSVDGIQAOBAD-DZGCQCFKSA-N
SMILES Cc1coc2C[C@@]3(C)CCCC(=C)[C@@H]3Cc12
ChEBI Ontology
Outgoing Atractylone (CHEBI:80796) is a sesquiterpenoid (CHEBI:26658)
Synonyms Sources
Atractylol KEGG COMPOUND
Atractyloxide KEGG COMPOUND
Manual Xref Database
C16919 KEGG COMPOUND
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Registry Number Type Source
6989-21-5 CAS Registry Number KEGG COMPOUND