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CHEBI:31469 - desmethyldescarbamoylnovobiocin
| Formula | C29H33NO10 |
| Net Charge | 0 |
| Average Mass | 555.580 |
| Monoisotopic Mass | 555.21045 |
| SMILES | CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](O)[C@H]4O)c(C)c3oc2=O)ccc1O |
| InChI | InChI=1S/C29H33NO10/c1-13(2)6-7-15-12-16(8-10-18(15)31)26(36)30-20-21(32)17-9-11-19(14(3)24(17)39-27(20)37)38-28-23(34)22(33)25(35)29(4,5)40-28/h6,8-12,22-23,25,28,31-35H,7H2,1-5H3,(H,30,36)/t22-,23+,25+,28+/m0/s1 |
| InChIKey | ZCIRPBAEIIAERP-ZJTSJXPUSA-N |
| Roles Classification |
|---|
| Biological Role: | 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) |
| desmethyldescarbamoylnovobiocin (CHEBI:31469) has role metabolite (CHEBI:25212) |
| desmethyldescarbamoylnovobiocin (CHEBI:31469) is a benzamides (CHEBI:22702) |
| desmethyldescarbamoylnovobiocin (CHEBI:31469) is a hexoside (CHEBI:35313) |
| desmethyldescarbamoylnovobiocin (CHEBI:31469) is a hydroxycoumarin (CHEBI:37912) |
| desmethyldescarbamoylnovobiocin (CHEBI:31469) is a monosaccharide derivative (CHEBI:63367) |
| desmethyldescarbamoylnovobiocin (CHEBI:31469) is conjugate acid of desmethyldescarbamoylnovobiocin(1−) (CHEBI:73957) |
| Incoming Relation(s) |
| desmethyldescarbamoylnovobiocin(1−) (CHEBI:73957) is conjugate base of desmethyldescarbamoylnovobiocin (CHEBI:31469) |
| IUPAC Name |
|---|
| N-{7-[(6-deoxy-5-methyl-β-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide |
| Synonyms | Source |
|---|---|
| Desmethyldescarbamoylnovobiocin | KEGG COMPOUND |
| demethyldecarbamoylnovobiocin | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C12475 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10226252 | Reaxys |
| Citations |
|---|