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CHEBI:70221 - Dichotomide XIII, (rel)-

ChEBI IDCHEBI:70221
ChEBI NameDichotomide XIII, (rel)-
Stars
DefinitionA natural product found in Stellaria dichotoma var. lanceolata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H25N3O6
Net Charge0
Average Mass439.468
Monoisotopic Mass439.17434
SMILESCCCCOC(=O)CC[C@H](NC(=O)c1cc2c(nc3ccccc32)c(C(C)=O)n1)C(=O)O
InChIInChI=1S/C23H25N3O6/c1-3-4-11-32-19(28)10-9-17(23(30)31)26-22(29)18-12-15-14-7-5-6-8-16(14)24-21(15)20(25-18)13(2)27/h5-8,12,17,24H,3-4,9-11H2,1-2H3,(H,26,29)(H,30,31)/t17-/m0/s1
InChIKeyGKBSOIHLWSOULK-KRWDZBQOSA-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 XIII, (rel)- (CHEBI:70221) has role metabolite (CHEBI:25212)
Dichotomide XIII, (rel)- (CHEBI:70221) is a harmala alkaloid (CHEBI:61379)
Citations