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CHEBI:70457 - 17,24-epoxy-20alpha,25-dihydroxy-21-norbaccharan-3-one

ChEBI IDCHEBI:70457
ChEBI Name17,24-epoxy-20alpha,25-dihydroxy-21-norbaccharan-3-one
Stars
DefinitionA natural product found in Aglaia foveolata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H48O4
Net Charge0
Average Mass460.699
Monoisotopic Mass460.35526
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@]4(O)CC[C@@H](C(C)(C)O)O[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C29H48O4/c1-24(2)19-10-14-28(7)20(26(19,5)13-11-21(24)30)9-8-18-23-29(32,17-16-27(18,28)6)15-12-22(33-23)25(3,4)31/h18-20,22-23,31-32H,8-17H2,1-7H3/t18-,19+,20-,22+,23-,26+,27-,28-,29-/m1/s1
InChIKeyNNNRTJSRGAXLIH-JGYUFZKTSA-N
Species of MetaboliteComponentSourceComments
Aglaia foveolata (IPNI:968391-1) stem (BTO:0001300) PubMed (20939540) Previous component: stem bark; Methanolic extract of dried stem bark
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
17,24-epoxy-20alpha,25-dihydroxy-21-norbaccharan-3-one (CHEBI:70457) has role metabolite (CHEBI:25212)
17,24-epoxy-20alpha,25-dihydroxy-21-norbaccharan-3-one (CHEBI:70457) is a organic heterotricyclic compound (CHEBI:26979)
17,24-epoxy-20alpha,25-dihydroxy-21-norbaccharan-3-one (CHEBI:70457) is a organooxygen compound (CHEBI:36963)
Citations