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CHEBI:47302 - clorobiocin
| Formula | C35H37ClN2O11 |
| Net Charge | 0 |
| Average Mass | 697.137 |
| Monoisotopic Mass | 696.20859 |
| SMILES | CO[C@@H]1[C@@H](OC(=O)c2ccc(C)n2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |
| InChI | InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1 |
| InChIKey | FJAQNRBDVKIIKK-LFLQOBSNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| clorobiocin (CHEBI:47302) is a coumarins (CHEBI:23403) |
| clorobiocin (CHEBI:47302) is a glycoside (CHEBI:24400) |
| Synonyms | Source |
|---|---|
| Clorobiocin | KEGG COMPOUND |
| Chlorobiocin | KEGG COMPOUND |
| N-[8-chloro-7-({6-deoxy-5-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-beta-D-gulopyranosyl}oxy)-4-hydroxy-2-oxo-2H-chromen-3-yl]-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide | PDBeChem |
| CLOROBIOCIN | PDBeChem |