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CHEBI:70211 - dichotomide III
| Formula | C18H15N3O4 |
| Net Charge | 0 |
| Average Mass | 337.335 |
| Monoisotopic Mass | 337.10626 |
| SMILES | COC(=O)/C=C/NC(=O)c1cc2c(nc3ccccc32)c(C(C)=O)n1 |
| InChI | InChI=1S/C18H15N3O4/c1-10(22)16-17-12(11-5-3-4-6-13(11)20-17)9-14(21-16)18(24)19-8-7-15(23)25-2/h3-9,20H,1-2H3,(H,19,24)/b8-7+ |
| InChIKey | UJECFLWSXCNVMR-BQYQJAHWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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 III (CHEBI:70211) has role plant metabolite (CHEBI:76924) |
| dichotomide III (CHEBI:70211) is a aromatic ketone (CHEBI:76224) |
| dichotomide III (CHEBI:70211) is a methyl ester (CHEBI:25248) |
| dichotomide III (CHEBI:70211) is a monocarboxylic acid amide (CHEBI:29347) |
| dichotomide III (CHEBI:70211) is a organic heterotricyclic compound (CHEBI:26979) |
| dichotomide III (CHEBI:70211) is a β-carboline alkaloid (CHEBI:83325) |
| IUPAC Name |
|---|
| methyl (2E)-3-{[(1-acetyl-9H-β-carbolin-3-yl)carbonyl]amino}prop-2-enoate |
| Synonym | Source |
|---|---|
| methyl(E)-3-[(1-acetyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]prop-2-enoate | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21155694 | Reaxys |
| Citations |
|---|