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.
Supplier Information
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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 Waiting for Citations 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);