CHEBI:68232 - (Z)-ligustilide

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ChEBI Name (Z)-ligustilide
ChEBI ID CHEBI:68232
Definition A natural product found in Ligusticum porteri.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H14O2
Net Charge 0
Average Mass 190.23840
Monoisotopic Mass 190.09938
InChI InChI=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-
InChIKey IQVQXVFMNOFTMU-FLIBITNWSA-N
SMILES CCC\C=C1OC(=O)C2=C/1CCC=C2
Metabolite of Species Details
Ligusticum porteri (NCBI:txid54719) Found in root (BTO:0001188). Air-dried and pulverized roots were macerated with CH2Cl2-MeOH(1:1) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Xref Database
C16987 KEGG COMPOUND
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Registry Number Type Source
4431-01-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
20879744 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:ester(CHEBI:35701); ISA:lactone(CHEBI:25000); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);