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> Main
CHEBI:70497 - Alstolobine A, (rel)-
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ChEBI Name
Alstolobine A, (rel)-
ChEBI ID
CHEBI:70497
Definition
A natural product found in
Alstonia spatulata
.
Stars
This entity has been manually annotated by a third party.
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Formula
C22H26N2O5
Net Charge
0
Average Mass
398.45220
Monoisotopic Mass
398.18417
InChI
InChI=1S/C22H26N2O5/c1-
4-
21-
13-
24(20(26)
28-
5-
2)
11-
10-
17(21)
22(14-
29-
21,19(25)
27-
3)
18-
12-
15-
8-
6-
7-
9-
16(15)
23-
18/h4,6-
9,12,17,23H,1,5,10-
11,13-
14H2,2-
3H3/t17-
,21+,22-
/m0/s1
InChIKey
XMPQHDBGVZIIJS-WTOYTKOKSA-N
SMILES
[H][C@]12CCN(C[C@]1(OC[C@@]2(C(=O)OC)c1cc2ccccc2[nH]1)C=C)C(=O)OCC
Metabolite of Species
Details
Alstonia
sp.
tulata
(IPNI:76595-1)
Found in leaf
(BTO:0000713)
. Extraction of leaves 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
Alstolobine A, (rel)- (
CHEBI:70497
)
has role
metabolite (
CHEBI:25212
)
Alstolobine A, (rel)- (
CHEBI:70497
)
is a
indoles (
CHEBI:24828
)
Citation
Type
Source
21043460
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:piperidines(CHEBI:26151); ISA:carboxylic acid(CHEBI:33575); ISA:aralkylamine(CHEBI:18000); ISA:pyrroles(CHEBI:26455); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:dicarboxylic acid(CHEBI:35692); ISA:carboxylic ester(CHEBI:33308); ISA:oxolanes(CHEBI:26912); ISA:carbamate ester(CHEBI:23003); ISA:tertiary amine(CHEBI:32876); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);