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CHEBI:70263 - aglaiabbreviatin B

ChEBI IDCHEBI:70263
ChEBI Nameaglaiabbreviatin B
Stars
DefinitionA tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata.
Last Modified1 June 2015
DownloadsMolfile
FormulaC29H44O4
Net Charge0
Average Mass456.667
Monoisotopic Mass456.32396
SMILES[H][C@]12CC[C@]3([H])[C@@]([H])([C@]4(C)C=CC(=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/C29H44O4/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/h13,17,19-23H,8-12,14-16H2,1-7H3/t19-,20+,21+,22-,23-,26+,27-,28-,29+/m1/s1
InChIKeyQTFVCZBNOHEKLA-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)
aglaiabbreviatin B (CHEBI:70263) has role plant metabolite (CHEBI:76924)
aglaiabbreviatin B (CHEBI:70263) is a acetate ester (CHEBI:47622)
aglaiabbreviatin B (CHEBI:70263) is a butenolide (CHEBI:50523)
aglaiabbreviatin B (CHEBI:70263) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
rel-(3α,5α)-4,4,8,14-tetramethyl-24-oxo-20,24-epoxy-18-norchol-22-en-3-yl acetate
Registry NumbersSources
Reaxys:21155749Reaxys
Citations