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CHEBI:176358 - Caffeoylisocitric acid
| Formula | C15H14O10 |
| Net Charge | 0 |
| Average Mass | 354.267 |
| Monoisotopic Mass | 354.05870 |
| SMILES | O=C(O)CC(C(=O)O)C(O)(C(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1 |
| InChI | InChI=1S/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-11(18)15(25,14(23)24)8(13(21)22)6-12(19)20/h1-5,8,16-17,25H,6H2,(H,19,20)(H,21,22)(H,23,24)/b4-2+ |
| InChIKey | VKZRVCKHTOCHSD-DUXPYHPUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Zea mays (ncbitaxon:4577) | leaf (BTO:0000713) | MetaboLights (MTBLS2566) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Caffeoylisocitric acid (CHEBI:176358) is a hydroxycinnamic acid (CHEBI:24689) |
| IUPAC Name |
|---|
| (E)-6-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxohex-5-ene-1,2,3-tricarboxylic acid |