EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:204316 - SO 75R1
| Formula | C29H34O11 |
| Net Charge | 0 |
| Average Mass | 558.580 |
| Monoisotopic Mass | 558.21011 |
| SMILES | COc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C)(O)CC3OC1OC(C)C(OC)C(OC)C1O |
| InChI | InChI=1S/C29H34O11/c1-11-7-8-13-17(25(11)36-4)23(33)19-18(20(13)30)21(31)14-9-29(3,35)10-15(16(14)22(19)32)40-28-24(34)27(38-6)26(37-5)12(2)39-28/h7-8,12,15,24,26-28,31-32,34-35H,9-10H2,1-6H3 |
| InChIKey | BOCNMPJNEZKZFJ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nocardia (ncbitaxon:1817) | - | PubMed (1490875) |
| 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) |
| SO 75R1 (CHEBI:204316) is a anthracycline (CHEBI:48120) |
| IUPAC Name |
|---|
| 6,9,11-trihydroxy-7-(3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl)oxy-4-methoxy-3,9-dimethyl-8,10-dihydro-7H-tetracene-5,12-dione |
| Manual Xrefs | Databases |
|---|---|
| 140696 | ChemSpider |