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CHEBI:69318 - endiandramide B, rel-

ChEBI IDCHEBI:69318
ChEBI Nameendiandramide B, rel-
Stars
DefinitionA natural product found in Beilschmiedia tsangii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC26H33NO3
Net Charge0
Average Mass407.554
Monoisotopic Mass407.24604
SMILES[H][C@@]12C=C[C@]3([H])[C@H](C(=O)NCC(C)C)[C@@]1([H])C[C@@]1([H])[C@H](CCCc4ccc5c(c4)OCO5)[C@]3([H])[C@@]21[H]
InChIInChI=1S/C26H33NO3/c1-14(2)12-27-26(28)25-18-8-7-17-20(25)11-19-16(23(18)24(17)19)5-3-4-15-6-9-21-22(10-15)30-13-29-21/h6-10,14,16-20,23-25H,3-5,11-13H2,1-2H3,(H,27,28)/t16-,17+,18-,19-,20-,23-,24-,25-/m0/s1
InChIKeyMZNYKIXDEPFZJF-VOMQUASUSA-N
Species of MetaboliteComponentSourceComments
Beilschmiedia tsangii (IPNI:462970-1) root (BTO:0001188) PubMed (21846089) Cold MeOH extract of dry and sliced roots
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)
endiandramide B, rel- (CHEBI:69318) has role metabolite (CHEBI:25212)
endiandramide B, rel- (CHEBI:69318) is a benzodioxoles (CHEBI:38298)
Synonym  Source
rel-(1R,2R,3R,4S,5S,7S,8R,9S)-4-[3-(1,3-Benzodioxol-5-yl)propyl]-N-isobutyltetracyclo[5.4.0.02,5.03,9]undec-10-ene-8-carboxamideChEBI
Citations