CHEBI:68930 - yadanziolide V

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ChEBI Name yadanziolide V
ChEBI ID CHEBI:68930
Definition A quassinoid isolated from he ethanol extract of the stem of Brucea mollis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H26O8
Net Charge 0
Average Mass 382.40490
Monoisotopic Mass 382.16277
InChI InChI=1S/C19H26O8/c1-7-4-10(21)27-16(7)18(2)5-9-19(3)11(13(23)17(25)26-9)8(6-20)12(22)14(24)15(18)19/h4,8-9,11-16,20,22-24H,5-6H2,1-3H3/t8-,9-,11-,12-,13-,14+,15-,16+,18+,19+/m1/s1
InChIKey JEIWLRBHCNVSAV-PLDZXSBHSA-N
SMILES CC1=CC(=O)OC1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@H]3[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1[C@@]23C
Metabolite of Species Details
Brucea mollis (NCBI:txid43723) Found in stem (BTO:0001300). Ethanolic extract of air-dried and powdered stems 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.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing yadanziolide V (CHEBI:68930) has role metabolite (CHEBI:25212)
yadanziolide V (CHEBI:68930) has role plant metabolite (CHEBI:76924)
yadanziolide V (CHEBI:68930) is a δ-lactone (CHEBI:18946)
yadanziolide V (CHEBI:68930) is a butenolide (CHEBI:50523)
yadanziolide V (CHEBI:68930) is a organic heterotricyclic compound (CHEBI:26979)
yadanziolide V (CHEBI:68930) is a quassinoid (CHEBI:72485)
yadanziolide V (CHEBI:68930) is a tetrol (CHEBI:33573)
IUPAC Name
rel-(3R,3aS,4S,5R,6R,6aR,7S,8aR,8bS)-3,5,6-trihydroxy-4-(hydroxymethyl)-7,8b-dimethyl-7-[(2R)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]decahydro-2H-cyclopenta[ij]isochromen-2-one
Registry Number Type Source
22123614 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22070654 PubMed citation Europe PMC
Last Modified
08 October 2013