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CHEBI:70513 - N(4)-demethylechitamine

ChEBI IDCHEBI:70513
ChEBI NameN(4)-demethylechitamine
Stars
DefinitionA natural product found in Alstonia spatulata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H26N2O4
Net Charge0
Average Mass370.449
Monoisotopic Mass370.18926
SMILES[H][C@]12C[C@H](O)[C@@]34Nc5ccccc5[C@@]3(CCN4C/C1=C/C)[C@]2(CO)C(=O)OC
InChIInChI=1S/C21H26N2O4/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-21(20,23)17(25)10-15(13)19(20,12-24)18(26)27-2/h3-7,15,17,22,24-25H,8-12H2,1-2H3/b13-3-/t15-,17-,19-,20-,21-/m0/s1
InChIKeyVZZBVNLFHYEUHM-CEYJTUKCSA-N
Species of MetaboliteComponentSourceComments
Alstonia spatulata (IPNI:76595-1) stem (BTO:0001300) PubMed (21043460) Previous component: stem bark; Extraction of stembark with concentrated EtOH with dilute acids
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)
N(4)-demethylechitamine (CHEBI:70513) has role metabolite (CHEBI:25212)
N(4)-demethylechitamine (CHEBI:70513) is a carbazoles (CHEBI:48513)
Citations