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CHEBI:68231 - (Z)-6,6',7,3'a-Diligustilide

ChEBI IDCHEBI:68231
ChEBI Name(Z)-6,6',7,3'a-Diligustilide
Stars
DefinitionA natural product found in Ligusticum porteri.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H28O4
Net Charge0
Average Mass380.484
Monoisotopic Mass380.19876
SMILES[H][C@@]12CCC3=C(C(=O)O/C3=C\CCC)[C@]1([H])[C@@]13CC[C@]2([H])C=C1C(=O)O/C3=C\CCC
InChIInChI=1S/C24H28O4/c1-3-5-7-18-16-10-9-15-14-11-12-24(21(15)20(16)23(26)27-18)17(13-14)22(25)28-19(24)8-6-4-2/h7-8,13-15,21H,3-6,9-12H2,1-2H3/b18-7-,19-8-/t14-,15+,21-,24+/m1/s1
InChIKeyUBBRXVRQZJSDAK-ZJHGLIIDSA-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)-6,6',7,3'a-Diligustilide (CHEBI:68231) has role metabolite (CHEBI:25212)
(Z)-6,6',7,3'a-Diligustilide (CHEBI:68231) is a butenolide (CHEBI:50523)
Synonym  Source
DiligustilideChEBI
Citations