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CHEBI:70212 - dichotomide IV

Default Structure
ChEBI IDCHEBI:70212
ChEBI Namedichotomide IV
Stars
DefinitionA β-carboline alkaloid found in Stellaria dichotoma var. lanceolata.
Last Modified11 March 2015
DownloadsMolfile
FormulaC24H25N3O10
Net Charge0
Average Mass515.475
Monoisotopic Mass515.15399
SMILESCOC(=O)/C=C/NC(=O)c1cc2c(nc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc32)c(C(C)=O)n1
InChIInChI=1S/C24H25N3O10/c1-10(29)17-19-12(8-13(26-17)23(34)25-7-6-16(30)35-2)11-4-3-5-14(18(11)27-19)36-24-22(33)21(32)20(31)15(9-28)37-24/h3-8,15,20-22,24,27-28,31-33H,9H2,1-2H3,(H,25,34)/b7-6+/t15-,20-,21+,22-,24-/m1/s1
InChIKeyUMGPWCXTJXKPHK-INDRKVQXSA-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:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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 IV (CHEBI:70212) has role plant metabolite (CHEBI:76924)
dichotomide IV (CHEBI:70212) is a aromatic ketone (CHEBI:76224)
dichotomide IV (CHEBI:70212) is a enoate ester (CHEBI:51702)
dichotomide IV (CHEBI:70212) is a methyl ester (CHEBI:25248)
dichotomide IV (CHEBI:70212) is a monocarboxylic acid amide (CHEBI:29347)
dichotomide IV (CHEBI:70212) is a monosaccharide derivative (CHEBI:63367)
dichotomide IV (CHEBI:70212) is a organic heterotricyclic compound (CHEBI:26979)
dichotomide IV (CHEBI:70212) is a β-D-glucoside (CHEBI:22798)
dichotomide IV (CHEBI:70212) is a β-carboline alkaloid (CHEBI:83325)
IUPAC Name 
methyl (2E)-3-{[(1-acetyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-9H-β-carbolin-3-yl)carbonyl]amino}prop-2-enoate
Registry NumbersSources
Reaxys:21155703Reaxys
Citations