EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H33NO11 |
| Net Charge | 0 |
| Average Mass | 571.579 |
| Monoisotopic Mass | 571.20536 |
| SMILES | COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)C[C@]1(C)O)C(=O)c1c(O)ccc(O)c1C3=O |
| InChI | InChI=1S/C29H33NO11/c1-11-24(33)14(30(3)4)9-18(40-11)41-17-10-29(2,38)23(28(37)39-5)12-8-13-20(26(35)19(12)17)27(36)22-16(32)7-6-15(31)21(22)25(13)34/h6-8,11,14,17-18,23-24,31-33,35,38H,9-10H2,1-5H3/t11-,14-,17-,18-,23-,24+,29-/m0/s1 |
| InChIKey | ZYHBZUSPHLVINN-SVLNEGFGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomycesspecies (ncbitaxon:1931) | - | DOI (10.3998/ark.5550190.0005.a10) |
| 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) |
| 1-Hydroxyauramycin T (CHEBI:204698) is a anthracycline (CHEBI:48120) |
| IUPAC Name |
|---|
| methyl (1R,2S,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,7,10-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 78443503 | ChemSpider |