CHEBI:70513 - N(4)-demethylechitamine

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ChEBI Name N(4)-demethylechitamine
ChEBI ID CHEBI:70513
Definition A natural product found in Alstonia spatulata.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000096086415
Download Molfile XML SDF
Formula C21H26N2O4
Net Charge 0
Average Mass 370.44210
Monoisotopic Mass 370.18926
InChI InChI=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
InChIKey VZZBVNLFHYEUHM-CEYJTUKCSA-N
SMILES [H][C@]12C[C@H](O)[C@@]34Nc5ccccc5[C@@]3(CCN4C\C1=C\C)[C@]2(CO)C(=O)OC
Metabolite of Species Details
Alstonia sp.tulata (IPNI:76595-1) Found in stem (BTO:0001300). Previous component: stem bark; Extraction of stembark with concentrated EtOH with dilute acids See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N(4)-demethylechitamine (CHEBI:70513) has role metabolite (CHEBI:25212)
N(4)-demethylechitamine (CHEBI:70513) is a carbazoles (CHEBI:48513)
Citation
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:pyrroloindole(CHEBI:48133); ISA:indoles(CHEBI:24828); ISA:aralkylamine(CHEBI:18000); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:azepanes(CHEBI:46986); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:pyrroles(CHEBI:26455); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:secondary amine(CHEBI:32863); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);