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ChEBI
> Main
CHEBI:80796 - Atractylone
Main
ChEBI Ontology
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ChEBI Name
Atractylone
ChEBI ID
CHEBI:80796
Stars
This entity has been manually annotated by a third party.
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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
View more database links
Registry Number
Type
Source
6989-21-5
CAS Registry Number
KEGG COMPOUND