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CHEBI:68232 - (Z)-ligustilide

ChEBI IDCHEBI:68232
ChEBI Name(Z)-ligustilide
Stars
DefinitionA natural product found in Ligusticum porteri.
Last Modified22 September 2014
DownloadsMolfile
FormulaC12H14O2
Net Charge0
Average Mass190.242
Monoisotopic Mass190.09938
SMILESCCC/C=C1\OC(=O)C2=C1CCC=C2
InChIInChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-
InChIKeyIQVQXVFMNOFTMU-FLIBITNWSA-N
Species of MetaboliteComponentSourceComments
Ligusticum porteri (ncbitaxon:54719) root (BTO:0001188) PubMed (20879744) Air-dried and pulverized roots were macerated with CH2Cl2-MeOH(1:1)
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)
(Z)-ligustilide (CHEBI:68232) has role metabolite (CHEBI:25212)
(Z)-ligustilide (CHEBI:68232) is a butenolide (CHEBI:50523)
Synonym  Source
1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-ChEBI
Manual XrefsDatabases
C16987KEGG COMPOUND
Registry NumbersSources
CAS:4431-01-0ChemIDplus
CAS:4431-01-0KEGG COMPOUND
Citations