EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C39H59ClO3 |
| Net Charge | 0 |
| Average Mass | 611.351 |
| Monoisotopic Mass | 610.41527 |
| SMILES | [H][C@@]12CC=C3C[C@@H](OC(=O)C(C)(C)Oc4ccc(Cl)cc4)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@@H](CC)C(C)C |
| InChI | InChI=1S/C39H59ClO3/c1-9-27(25(2)3)11-10-26(4)33-18-19-34-32-17-12-28-24-31(20-22-38(28,7)35(32)21-23-39(33,34)8)42-36(41)37(5,6)43-30-15-13-29(40)14-16-30/h12-16,25-27,31-35H,9-11,17-24H2,1-8H3/t26-,27-,31+,32+,33-,34+,35+,38+,39-/m1/s1 |
| InChIKey | AKGJIVJDHCUPMI-ISMOLGHHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sitofibrate (CHEBI:756127) is a steroid (CHEBI:35341) |
| INNs | Source |
|---|---|
| sitofibrate | WHO MedNet |
| sitofibrato | WHO MedNet |