EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H16O11 |
| Net Charge | 0 |
| Average Mass | 372.282 |
| Monoisotopic Mass | 372.06926 |
| SMILES | O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@](O)(C(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1 |
| InChI | InChI=1S/C15H16O11/c16-7-3-1-6(5-8(7)17)2-4-9(18)15(26,14(24)25)12(21)10(19)11(20)13(22)23/h1-5,10-12,16-17,19-21,26H,(H,22,23)(H,24,25)/b4-2+/t10-,11-,12-,15-/m0/s1 |
| InChIKey | RIFCKZTXGVWANM-DAYADSRXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-caffeoylaltraric acid (CHEBI:147328) is a monocaffeoylaltraric acid (CHEBI:147327) |