EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C47H78O14 |
| Net Charge | 0 |
| Average Mass | 867.127 |
| Monoisotopic Mass | 866.53916 |
| SMILES | [H][C@]1([C@@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O[C@@]2(CC[C@@](C)([C@@]3([H])C[C@H](O[C@@H]4CC[C@H](OC)[C@H](C)O4)[C@@H](C)[C@@]4(O[C@@]([H])([C@@]5([H])O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@H]1C |
| InChI | InChI=1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-31(8)34(49)22-45(59-41)16-15-44(11,61-45)38-21-36(56-39-14-13-35(54-12)33(10)55-39)32(9)47(58-38)30(7)20-37(57-47)42-27(4)19-29(6)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+/t25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,41-,42+,44+,45-,46+,47+/m1/s1 |
| InChIKey | FELYAZAWTURXNF-DPJQGRQDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Nanchangmycin (CHEBI:29647) is a terpene glycoside (CHEBI:61777) |
| Synonym | Source |
|---|---|
| Nanchangmycin | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C12047 | KEGG COMPOUND |