EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C43H59NO16 |
| Net Charge | 0 |
| Average Mass | 845.936 |
| Monoisotopic Mass | 845.38338 |
| SMILES | [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@]12OC(=O)OC)C3(C)C |
| InChI | InChI=1S/C43H59NO16/c1-21-24(57-35(50)28(47)31(38(3,4)5)44-36(51)59-39(6,7)8)19-43(53)33(58-34(49)23-16-14-13-15-17-23)30-41(11,32(48)29(56-22(2)45)27(21)40(43,9)10)25(46)18-26-42(30,20-55-26)60-37(52)54-12/h13-17,24-26,28-31,33,46-47,53H,18-20H2,1-12H3,(H,44,51)/t24-,25-,26+,28+,29+,30-,31+,33-,41+,42-,43+/m0/s1 |
| InChIKey | AHXICHPPXIGCBN-GPWPDEGDSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bms-275183 (CHEBI:756772) has role antineoplastic agent (CHEBI:35610) |
| bms-275183 (CHEBI:756772) is a taxane diterpenoid (CHEBI:50367) |
| Synonyms | Source |
|---|---|
| Bms 275183 | ChEMBL |
| Bms-275183 | ChEMBL |