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CHEBI:67771 - Xestoproxamine C, (rel)-

ChEBI IDCHEBI:67771
ChEBI NameXestoproxamine C, (rel)-
Stars
DefinitionA natural product found in Neopetrosia proxima.
Last Modified22 September 2014
DownloadsMolfile
FormulaC31H56N2
Net Charge0
Average Mass456.803
Monoisotopic Mass456.44435
SMILES[H][C@@]12CC/C=C\CCCCCCN3CC[C@]4([H])[C@@]([H])(CN(CC[C@@H](C)CCCCCCC[C@]4([H])C3)C1)C2
InChIInChI=1S/C31H56N2/c1-27-15-11-7-6-9-13-17-29-25-32-20-14-10-5-3-2-4-8-12-16-28-23-30(31(29)19-22-32)26-33(24-28)21-18-27/h4,8,27-31H,2-3,5-7,9-26H2,1H3/b8-4-/t27-,28-,29+,30+,31-/m0/s1
InChIKeyASUYCOBPLIZBDP-OBDYYNBNSA-N
Species of MetaboliteComponentSourceComments
Neopetrosia proxima (WORMS:378581) - PubMed (21341726) The sample was extracted with methanol and then with CH2Cl2/MeOH
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)
Xestoproxamine C, (rel)- (CHEBI:67771) has role metabolite (CHEBI:25212)
Xestoproxamine C, (rel)- (CHEBI:67771) is a piperidines (CHEBI:26151)
Synonym  Source
rel-(4S,12S,13S,23Z,27S,29S)-4-Methyl-1,16-diazatetracyclo[25.3.1.1(12,16).0(13,29)]dotriacont-23-eneChEBI
Citations