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CHEBI:70220 - Dichotomide XII, (rel)-

Default Structure
ChEBI IDCHEBI:70220
ChEBI NameDichotomide XII, (rel)-
Stars
DefinitionA natural product found in Stellaria dichotoma var. lanceolata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H21N3O6
Net Charge0
Average Mass411.414
Monoisotopic Mass411.14304
SMILESCOC(=O)CC[C@@H](C(=O)O)N(C)C(=O)c1cc2c(nc3ccccc32)c(C(C)=O)n1
InChIInChI=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
InChIKeyUCASVLUQIKPWRX-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Stellaria dichotoma var. lanceolata (IPNI:50920984-1) root (BTO:0001188) PubMed (21090796) Methanolic extract of air-dried, powdered roots
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 acidChEBI
Citations