CHEBI:70512 - 19,20-E-vallesamine

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ChEBI Name 19,20-E-vallesamine
ChEBI ID CHEBI:70512
Definition A natural product found in Alstonia spatulata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H24N2O3
Net Charge 0
Average Mass 340.41620
Monoisotopic Mass 340.17869
InChI InChI=1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20+/m0/s1
InChIKey JZKSIYFJGCTTET-DIYYJNGXSA-N
SMILES [H][C@]12CCN(C\C1=C\C)Cc1c([nH]c3ccccc13)[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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 19,20-E-vallesamine (CHEBI:70512) has role metabolite (CHEBI:25212)
19,20-E-vallesamine (CHEBI:70512) is a alkaloid (CHEBI:22315)
Citation Waiting for Citations Type Source
21043460 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:indoles(CHEBI:24828); ISA:aralkylamine(CHEBI:18000); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:piperidines(CHEBI:26151); ISA:carboxylic ester(CHEBI:33308); ISA:pyrroles(CHEBI:26455); ISA:tertiary amine(CHEBI:32876); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);