EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H24O6 |
| Net Charge | 0 |
| Average Mass | 360.406 |
| Monoisotopic Mass | 360.15729 |
| SMILES | CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1CC1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2O |
| InChI | InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11?,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1 |
| InChIKey | DFBIRQPKNDILPW-KTGKZQHOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-6185 (CHEBI:94966) is a oxacycle (CHEBI:38104) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6185 | LINCS |