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CHEBI:70266 - aglaiabbreviatin E

ChEBI IDCHEBI:70266
ChEBI Nameaglaiabbreviatin E
Stars
DefinitionA tetracyclic triterpenoid (dammarane type) isolated from the stems of Aglaia abbreviata.
Last Modified1 June 2015
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@]3([H])C(=C)C/C=C/C(C)(C)O)[C@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C30H48O2/c1-20(10-9-16-26(2,3)32)21-13-18-29(7)22(21)11-12-24-28(6)17-15-25(31)27(4,5)23(28)14-19-30(24,29)8/h9,16,21-24,32H,1,10-15,17-19H2,2-8H3/b16-9+/t21-,22-,23+,24-,28+,29-,30-/m1/s1
InChIKeyUEMOSIMEJKJGBC-MBMJWOSHSA-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 E (CHEBI:70266) has role plant metabolite (CHEBI:76924)
aglaiabbreviatin E (CHEBI:70266) is a cyclic terpene ketone (CHEBI:36130)
aglaiabbreviatin E (CHEBI:70266) is a tertiary alcohol (CHEBI:26878)
aglaiabbreviatin E (CHEBI:70266) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
rel-(5R,8R,9R,10R,13R,14R,17S)-17-[(4E)-6-hydroxy-6-methylhepta-1,4-dien-2-yl]-4,4,8,10,14-pentamethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one
Registry NumbersSources
Reaxys:21155750Reaxys
Citations