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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:
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.
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