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ChEBI
> Main
CHEBI:70220 - Dichotomide XII, (rel)-
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ChEBI Ontology
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ChEBI Name
Dichotomide XII, (rel)-
ChEBI ID
CHEBI:70220
Definition
A natural product found in
Stellaria dichotoma
var.
lanceolata
.
Stars
This entity has been manually annotated by a third party.
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Formula
C21H21N3O6
Net Charge
0
Average Mass
411.40790
Monoisotopic Mass
411.14304
InChI
InChI=1S/C21H21N3O6/c1-
11(25)
18-
19-
13(12-
6-
4-
5-
7-
14(12)
22-
19)
10-
15(23-
18)
20(27)
24(2)
16(21(28)
29)
8-
9-
17(26)
30-
3/h4-
7,10,16,22H,8-
9H2,1-
3H3,(H,28,29)
/t16-
/m0/s1
InChIKey
UCASVLUQIKPWRX-INIZCTEOSA-N
SMILES
COC(=O)CC[C@H](N(C)C(=O)c1cc2c3ccccc3[nH]c2c(n1)C(C)=O)C(O)=O
Metabolite of Species
Details
Stellaria dichotoma
var.
lanceolata
(IPNI:50920984-1)
Found in root
(BTO:0001188)
. Methanolic extract of air-dried, powdered roots 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
Dichotomide XII, (rel)- (
CHEBI:70220
)
has role
metabolite (
CHEBI:25212
)
Dichotomide XII, (rel)- (
CHEBI:70220
)
is a
harmala alkaloid (
CHEBI:61379
)
Synonym
Source
rel-(2S)-2-[(1-acetyl-9H-pyrido[3,4-b]indole-3-carbonyl)-methylamino]-5-methoxy-5-oxopentanoic acid
ChEBI
Citation
Type
Source
21090796
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:beta-carbolines(CHEBI:60834); ISA:N-acyl-amino acid(CHEBI:51569); ISA:alpha-amino acid(CHEBI:33704); ISA:indoles(CHEBI:24828); ISA:pyridinemonocarboxylic acid(CHEBI:26420); ISA:aromatic carboxylic acid(CHEBI:33859); ISA:aromatic ketone(CHEBI:76224); ISA:fatty acid methyl ester(CHEBI:4986); ISA:aralkylamine(CHEBI:18000); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:dicarboxylic acid(CHEBI:35692); ISA:enone(CHEBI:51689); ISA:enamine(CHEBI:47989); ISA:pyrroles(CHEBI:26455); ISA:carboxamide(CHEBI:37622); ISA:carboxylic ester(CHEBI:33308); ISA:enol ether(CHEBI:47985); ISA:tertiary amine(CHEBI:32876); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575);