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CHEBI:207004 - Duocarmycin SA
| Formula | C25H23N3O7 |
| Net Charge | 0 |
| Average Mass | 477.473 |
| Monoisotopic Mass | 477.15360 |
| SMILES | COC(=O)c1cc2c(n1)C(=O)C=C1N(C(=O)c3cc4cc(OC)c(OC)c(OC)c4n3)C[C@H]3C[C@]123 |
| InChI | InChI=1S/C25H23N3O7/c1-32-17-6-11-5-14(26-19(11)22(34-3)21(17)33-2)23(30)28-10-12-9-25(12)13-7-15(24(31)35-4)27-20(13)16(29)8-18(25)28/h5-8,12,26-27H,9-10H2,1-4H3/t12-,25-/m1/s1 |
| InChIKey | VQNATVDKACXKTF-XELLLNAOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomycesspecies (ncbitaxon:1931) | - | PubMed (1955385) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Duocarmycin SA (CHEBI:207004) is a indolecarboxamide (CHEBI:46921) |
| IUPAC Name |
|---|
| methyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 103203 | ChemSpider |