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CHEBI:70270 - cabraleahydroxylactone acetate

ChEBI IDCHEBI:70270
ChEBI Namecabraleahydroxylactone acetate
Stars
DefinitionA tetracyclic triterpenoid isolated from Aglaia abbreviata.
Last Modified1 June 2015
DownloadsMolfile
FormulaC29H46O4
Net Charge0
Average Mass458.683
Monoisotopic Mass458.33961
SMILES[H][C@]12CC[C@]3([H])[C@@]([H])([C@]4(C)CCC(=O)O4)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](OC(C)=O)CC[C@]21C
InChIInChI=1S/C29H46O4/c1-18(30)32-23-12-14-26(4)21(25(23,2)3)11-16-28(6)22(26)9-8-19-20(10-15-27(19,28)5)29(7)17-13-24(31)33-29/h19-23H,8-17H2,1-7H3/t19-,20+,21+,22-,23-,26+,27-,28-,29+/m1/s1
InChIKeyCKGAIIJMVWESST-LKJFLBAOSA-N
Species of MetaboliteComponentSourceComments
Aglaia abbreviata (IPNI:576946-1) stem (BTO:0001300) PubMed (21087017) 95% ethanolic extract of air-dried stems
Roles Classification
Biological Role:
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)
cabraleahydroxylactone acetate (CHEBI:70270) has role plant metabolite (CHEBI:76924)
cabraleahydroxylactone acetate (CHEBI:70270) is a acetate ester (CHEBI:47622)
cabraleahydroxylactone acetate (CHEBI:70270) is a tetracyclic triterpenoid (CHEBI:26893)
cabraleahydroxylactone acetate (CHEBI:70270) is a γ-lactone (CHEBI:37581)
Citations