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CHEBI:70262 - aglaiabbreviatin A

ChEBI IDCHEBI:70262
ChEBI Nameaglaiabbreviatin A
Stars
DefinitionA tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata.
Last Modified1 June 2015
DownloadsMolfile
FormulaC27H40O3
Net Charge0
Average Mass412.614
Monoisotopic Mass412.29775
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(=O)CC[C@]21C
InChIInChI=1S/C27H40O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h12,16-20H,7-11,13-15H2,1-6H3/t17-,18+,19+,20-,24+,25-,26-,27+/m1/s1
InChIKeyJRGYNXKJYVLQBR-QPBHWVAKSA-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 A (CHEBI:70262) has role plant metabolite (CHEBI:76924)
aglaiabbreviatin A (CHEBI:70262) is a butenolide (CHEBI:50523)
aglaiabbreviatin A (CHEBI:70262) is a cyclic terpene ketone (CHEBI:36130)
aglaiabbreviatin A (CHEBI:70262) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
rel-(5α)-4,4,8,14-tetramethyl-20,24-epoxy-18-norchol-22-ene-3,24-dione
Registry NumbersSources
Reaxys:21155746Reaxys
Citations