EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C46H57NO17 |
| Net Charge | 0 |
| Average Mass | 895.952 |
| Monoisotopic Mass | 895.36265 |
| SMILES | CNC1(C)CC(c2ccc3c(c2O)C(=O)c2c(cc(C(O)(C(=O)OC)C4CC(OC)C(O)C(C)O4)c4c(=O)cc(C5(C)OC5C)oc24)C3=O)OC(C)C1OC1CC(OC)C(O)C(C)O1 |
| InChI | InChI=1S/C46H57NO17/c1-18-36(49)27(56-8)15-31(60-18)46(55,43(54)58-10)25-13-24-34(41-35(25)26(48)14-30(62-41)45(6)21(4)64-45)40(53)33-23(38(24)51)12-11-22(39(33)52)29-17-44(5,47-7)42(20(3)59-29)63-32-16-28(57-9)37(50)19(2)61-32/h11-14,18-21,27-29,31-32,36-37,42,47,49-50,52,55H,15-17H2,1-10H3 |
| InChIKey | YRBLXLRNBFXANX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Altromycin C (CHEBI:219572) is a benzochromenone (CHEBI:64986) |
| Altromycin C (CHEBI:219572) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| methyl 2-[2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-10-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-(methylamino)oxan-2-yl]-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]-2-hydroxy-2-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)acetate |
| Manual Xrefs | Databases |
|---|---|
| 169552 | ChemSpider |