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CHEBI:68930 - yadanziolide V

Default Structure
ChEBI IDCHEBI:68930
ChEBI Nameyadanziolide V
Stars
DefinitionA quassinoid isolated from he ethanol extract of the stem of Brucea mollis.
Last Modified8 October 2013
DownloadsMolfile
FormulaC19H26O8
Net Charge0
Average Mass382.409
Monoisotopic Mass382.16277
SMILES[H][C@]12[C@@H](O)C(=O)O[C@]3([H])C[C@](C)([C@@]4([H])OC(=O)C=C4C)[C@@]([H])([C@@H](O)[C@H](O)[C@@H]1CO)[C@]23C
InChIInChI=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
InChIKeyJEIWLRBHCNVSAV-PLDZXSBHSA-N
Species of MetaboliteComponentSourceComments
Brucea mollis (ncbitaxon:43723) stem (BTO:0001300) PubMed (22070654) Ethanolic extract of air-dried and powdered stems
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
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 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)
yadanziolide V (CHEBI:68930) is a δ-lactone (CHEBI:18946)
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 NumbersSources
Reaxys:22123614Reaxys
Citations