EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H15O7 |
| Net Charge | -1 |
| Average Mass | 343.311 |
| Monoisotopic Mass | 343.08233 |
| SMILES | [H]Oc1c([H])c([H])c(C([H])([H])[C@@]([H])(OC(=O)/C([H])=C(\[H])c2c([H])c([H])c(O[H])c(O[H])c2[H])C(=O)[O-])c([H])c1[H] |
| InChI | InChI=1S/C18H16O7/c19-13-5-1-12(2-6-13)10-16(18(23)24)25-17(22)8-4-11-3-7-14(20)15(21)9-11/h1-9,16,19-21H,10H2,(H,23,24)/p-1/b8-4+/t16-/m1/s1 |
| InChIKey | ZIUGAQNCXNLSFT-KZJSRBBCSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| caffeoyl-4'-hydroxyphenyllactate (CHEBI:746866) is a organic molecular entity (CHEBI:50860) |
| Citations |
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