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

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ChEBI Name (Z)-6,6',7,3'a-Diligustilide
ChEBI ID CHEBI:68231
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 C24H28O4
Net Charge 0
Average Mass 380.47670
Monoisotopic Mass 380.19876
InChI InChI=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
InChIKey UBBRXVRQZJSDAK-ZJHGLIIDSA-N
SMILES [H][C@@]12CC[C@]3(\C(OC(=O)C3=C1)=C\CCC)[C@@]1([H])C3=C(CC[C@@]21[H])\C(OC3=O)=C\CCC
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)-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
Diligustilide ChEBI
Citation Waiting for Citations Type Source
20879744 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:dicarboxylic acid(CHEBI:35692); ISA:oxolanes(CHEBI:26912); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:ester(CHEBI:35701); ISA:lactone(CHEBI:25000); ISA:carbonyl compound(CHEBI:36586);