EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C35H56O14 |
| Net Charge | 0 |
| Average Mass | 700.819 |
| Monoisotopic Mass | 700.36701 |
| SMILES | CO[C@@H]1[C@H](O)[C@@H](C)O[C@@H](OC[C@H]2[C@H]3O[C@@H]3/C=C/C(=O)[C@@](C)(O)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](OC)[C@H]3O)[C@@H](C)/C=C/C(=O)O[C@@H]2C)[C@@H]1OC |
| InChI | InChI=1S/C35H56O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10-13,17-24,27-34,38-40H,14-16H2,1-9H3/b12-11+,13-10+/t17-,18-,19+,20+,21+,22+,23+,24-,27+,28+,29+,30+,31+,32+,33-,34+,35-/m0/s1 |
| InChIKey | KLGADJPDTCIJLO-LJUCOGSUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Chalcomycin (CHEBI:80016) is a macrolide (CHEBI:25106) |
| Manual Xrefs | Databases |
|---|---|
| C15678 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| CAS:20283-48-1 | KEGG COMPOUND |