CHEBI:70508 - 16R,19E-isositsirikine

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ChEBI Name 16R,19E-isositsirikine
ChEBI ID CHEBI:70508
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 C21H26N2O3
Net Charge 0
Average Mass 354.44270
Monoisotopic Mass 354.19434
InChI InChI=1S/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,16-17,19,22,24H,8-12H2,1-2H3/b13-3-/t16-,17-,19-/m0/s1
InChIKey RGXKJLTVROJBKZ-LZNZQLKFSA-N
SMILES [H][C@@]1(C[C@]2([H])N(CCc3c2[nH]c2ccccc32)C\C1=C\C)[C@H](CO)C(=O)OC
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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 16R,19E-isositsirikine (CHEBI:70508) has role metabolite (CHEBI:25212)
16R,19E-isositsirikine (CHEBI:70508) is a alkaloid (CHEBI:22315)
Synonym Source
Corynan-16-carboxylic acid, 19,20-didehydro-17-hydroxy-, methyl ester,(16R,19E)- ChEBI
Manual Xref Database
4941438 ChemSpider
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Citation Waiting for Citations Type Source
21043460 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:beta-carbolines(CHEBI:60834); ISA:quinolizines(CHEBI:38063); ISA:indoles(CHEBI:24828); ISA:aralkylamine(CHEBI:18000); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:piperidines(CHEBI:26151); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:pyrroles(CHEBI:26455); ISA:carboxylic ester(CHEBI:33308); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);