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CHEBI:198777 - Bravomicin A
| Formula | C38H31N3O12 |
| Net Charge | 0 |
| Average Mass | 721.675 |
| Monoisotopic Mass | 721.19077 |
| SMILES | CCC(C)c1cc2c(=O)c3ccc4c(OC)c5c(O)c6c(=O)cccc6c(O)c5c(=O)c4c3c(=O)c2c(=O)n1CC(=O)N1CC(C(=O)O)NC(=O)C1C |
| InChI | InChI=1S/C38H31N3O12/c1-5-14(2)21-11-19-27(37(50)41(21)13-23(43)40-12-20(38(51)52)39-36(49)15(40)3)33(47)25-17(30(19)44)9-10-18-26(25)34(48)28-29(35(18)53-4)32(46)24-16(31(28)45)7-6-8-22(24)42/h6-11,14-15,20,45-46H,5,12-13H2,1-4H3,(H,39,49)(H,51,52) |
| InChIKey | VNIZMUALEAHAJX-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Micromonospora echinospora (ncbitaxon:1877) | - | PubMed (19680283) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Bravomicin A (CHEBI:198777) is a tetracenes (CHEBI:51270) |
| IUPAC Name |
|---|
| 4-[2-(7-butan-2-yl-17,24-dihydroxy-15-methoxy-3,5,10,19,26-pentaoxo-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),4(9),7,12,15,17,20,22,24-decaen-6-yl)acetyl]-5-methyl-6-oxopiperazine-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78444537 | ChemSpider |