EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H16O8 |
| Net Charge | 0 |
| Average Mass | 360.318 |
| Monoisotopic Mass | 360.08452 |
| SMILES | O=C(C=Cc1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O |
| InChI | InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/t16-/m1/s1 |
| InChIKey | DOUMFZQKYFQNTF-MRXNPFEDSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid (CHEBI:92370) is a hydroxycinnamic acid (CHEBI:24689) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2455 | LINCS |