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ChEBI
> Main
CHEBI:70512 - 19,20-E-vallesamine
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ChEBI Ontology
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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.
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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
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);