EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H46O2 |
| Net Charge | 0 |
| Average Mass | 450.707 |
| Monoisotopic Mass | 450.34978 |
| SMILES | CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C |
| InChI | InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3 |
| InChIKey | MBWXNTAXLNYFJB-UHFFFAOYSA-N |
| ChEBI Ontology |
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| Manual Xrefs | Databases |
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| LSM-5083 | LINCS |