EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C47H80O17 |
| Net Charge | 0 |
| Average Mass | 917.140 |
| Monoisotopic Mass | 916.53955 |
| SMILES | [H][C@@]1([C@H](C)[C@@]2([H])O[C@@]3(CC[C@@](C)([C@@]4([H])CC[C@@](C)([C@]5([H])O[C@@]([H])([C@@]6([H])O[C@](C)(O)[C@H](C)C[C@@H]6C)C[C@@H]5O[C@@H]5C[C@H](OC)[C@@H](OC)[C@H](C)O5)O4)O3)C[C@H](O)[C@H]2C)O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]1OC |
| InChI | InChI=1S/C47H80O17/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50)/t23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46+,47+/m0/s1 |
| InChIKey | RWVUEZAROXKXRT-VQLSFVLHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| maduramicin acid (CHEBI:750273) is a ketal (CHEBI:59777) |
| Synonyms | Source |
|---|---|
| Antibiotic x 14868a | ChEMBL |
| Maduramicin acid | ChEMBL |
| Maduramicin .alpha. | ChEMBL |
| Citations |
|---|