CHEBI:70220 - Dichotomide XII, (rel)-

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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.
Supplier Information
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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 )
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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 Waiting for Citations 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);