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CHEBI:69315 - endiandramide A

ChEBI IDCHEBI:69315
ChEBI Nameendiandramide A
Stars
DefinitionA natural product found in Beilschmiedia tsangii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC26H31NO3
Net Charge0
Average Mass405.538
Monoisotopic Mass405.23039
SMILES[H][C@@]12[C@@]3([H])[C@@]4([H])C[C@@]1([H])C=C[C@@H](C(=O)NCC(C)C)[C@]2([H])C=C[C@]3([H])[C@H]4Cc1ccc2c(c1)OCO2
InChIInChI=1S/C26H31NO3/c1-14(2)12-27-26(28)19-5-4-16-11-21-20(18-7-6-17(19)24(16)25(18)21)9-15-3-8-22-23(10-15)30-13-29-22/h3-8,10,14,16-21,24-25H,9,11-13H2,1-2H3,(H,27,28)/t16-,17+,18-,19-,20-,21+,24-,25-/m1/s1
InChIKeyVJYDYOYYSFAXSI-DLGBIPEUSA-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 A (CHEBI:69315) has role metabolite (CHEBI:25212)
endiandramide A (CHEBI:69315) is a benzodioxoles (CHEBI:38298)
Synonym  Source
(1S,1aS,2aS,5R,5aR,7aR,7bS,7cS)-1-(1,3-Benzodioxol-5-ylmethyl)-N-isobutyl-1a,2,2a,5,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylene-5-carboxamideChEBI
Citations