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CHEBI:143036 - Isochlorogenic acid
| Formula | C16H18O9 |
| Net Charge | 0 |
| Average Mass | 354.311 |
| Monoisotopic Mass | 354.09508 |
| SMILES | O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O |
| InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+ |
| InChIKey | CWVRJTMFETXNAD-DUXPYHPUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Solanum lycopersicum (ncbitaxon:4081) | leaf (BTO:0000713) | MetaboLights (MTBLS618) | Strain: Solanum lycopersicum cv. Santa Cruz Kada |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Isochlorogenic acid (CHEBI:143036) is a quinic acid (CHEBI:26493) |
| Citations |
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