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CHEBI:141876 - Acetyl-splendoline

ChEBI IDCHEBI:141876
ChEBI NameAcetyl-splendoline
Stars
Last Modified31 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC23H28N2O5
Net Charge0
Average Mass412.486
Monoisotopic Mass412.19982
SMILES[H][C@]12CO[C@H](C)[C@]3([H])CN4CC[C@@]5(c6ccccc6N(C(=O)C(O)C(C)=O)[C@@]15[H])[C@]4(O)C[C@]23[H]
InChIInChI=1S/C23H28N2O5/c1-12(26)19(27)21(28)25-18-6-4-3-5-17(18)22-7-8-24-10-15-13(2)30-11-16(20(22)25)14(15)9-23(22,24)29/h3-6,13-16,19-20,27,29H,7-11H2,1-2H3/t13-,14+,15+,16-,19?,20+,22+,23-/m1/s1
InChIKeyKWKIZOMEDRRFKB-MCTXSVFTSA-N
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)
Acetyl-splendoline (CHEBI:141876) is a monoterpenoid indole alkaloid (CHEBI:65323)