EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H31O6 |
| Net Charge | -1 |
| Average Mass | 343.440 |
| Monoisotopic Mass | 343.21261 |
| SMILES | C[C@H](CCCCCCC/C=C/C(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C18H32O6/c1-13(23-18-16(20)12-15(19)14(2)24-18)10-8-6-4-3-5-7-9-11-17(21)22/h9,11,13-16,18-20H,3-8,10,12H2,1-2H3,(H,21,22)/p-1/b11-9+/t13-,14+,15-,16-,18-/m1/s1 |
| InChIKey | KSEGTUNZXFPMMN-RSADRIIDSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ascr#19(1-) (CHEBI:139642) is a organic molecular entity (CHEBI:50860) |
| ascr#19(1-) (CHEBI:139642) is conjugate base of ascr#19 (CHEBI:78957) |
| Incoming Relation(s) |
| ascr#19 (CHEBI:78957) is conjugate acid of ascr#19(1-) (CHEBI:139642) |