EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C45H53NO14 |
| Net Charge | 0 |
| Average Mass | 831.912 |
| Monoisotopic Mass | 831.34661 |
| SMILES | CC(=O)O[C@H]1C(=O)[C@]23C[C@H]2C[C@H]2OC[C@@]2(OC(C)=O)[C@H]3[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C |
| InChI | InChI=1S/C45H53NO14/c1-23-29(57-39(52)33(49)32(26-15-11-9-12-16-26)46-40(53)60-41(4,5)6)21-45(54)37(58-38(51)27-17-13-10-14-18-27)35-43(36(50)34(56-24(2)47)31(23)42(45,7)8)20-28(43)19-30-44(35,22-55-30)59-25(3)48/h9-18,28-30,32-35,37,49,54H,19-22H2,1-8H3,(H,46,53)/t28-,29+,30-,32+,33-,34-,35+,37+,43-,44+,45-/m1/s1 |
| InChIKey | DXOJIXGRFSHVKA-BZVZGCBYSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| larotaxel (CHEBI:756659) has functional parent tetracarboxylic acid (CHEBI:35742) |
| larotaxel (CHEBI:756659) has role antineoplastic agent (CHEBI:35610) |
| larotaxel (CHEBI:756659) is a organooxygen compound (CHEBI:36963) |
| INN | Source |
|---|---|
| larotaxel | WHO MedNet |
| Synonyms | Source |
|---|---|
| XRP-9881 | ChEMBL |
| XRP9881 | ChEMBL |
| Citations |
|---|