EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70218 - Dichotomide X

ChEBI IDCHEBI:70218
ChEBI NameDichotomide X
Stars
DefinitionA natural product found in Stellaria dichotoma var. lanceolata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H23N3O5
Net Charge0
Average Mass421.453
Monoisotopic Mass421.16377
SMILESC/C=C(/C)C(=O)O[C@@H](C)c1nc(C(=O)N/C=C\C(=O)OC)cc2c1nc1ccccc12
InChIInChI=1S/C23H23N3O5/c1-5-13(2)23(29)31-14(3)20-21-16(15-8-6-7-9-17(15)25-21)12-18(26-20)22(28)24-11-10-19(27)30-4/h5-12,14,25H,1-4H3,(H,24,28)/b11-10-,13-5-/t14-/m0/s1
InChIKeyFYJIMBXWGFOPJQ-UKUHQPLKSA-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 X (CHEBI:70218) has role metabolite (CHEBI:25212)
Dichotomide X (CHEBI:70218) is a harmala alkaloid (CHEBI:61379)
Citations