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CHEBI:3010 - Benanomicin A
| Formula | C39H41NO19 |
| Net Charge | 0 |
| Average Mass | 827.745 |
| Monoisotopic Mass | 827.22728 |
| SMILES | COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(C)C(=O)O)c1O)[C@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]1O)[C@H]3O)C2=O |
| InChI | InChI=1S/C39H41NO19/c1-10-5-17-23(30(48)20(10)36(52)40-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(41)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(43)12(3)57-39)59-38-32(50)29(47)19(42)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,41-43,46-51H,9H2,1-4H3,(H,40,52)(H,53,54)/t11?,12-,19-,25+,28+,29+,32-,33-,34+,35+,38+,39+/m1/s1 |
| InChIKey | GOYUMGXIFMGKFN-FWFMMWRZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Benanomicin A (CHEBI:3010) is a p-quinones (CHEBI:25830) |
| Benanomicin A (CHEBI:3010) is a tetracenes (CHEBI:51270) |
| Synonym | Source |
|---|---|
| Benanomicin A | KEGG COMPOUND |