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CHEBI:193505 - 3,4,5-trihydroxy-6-{[6-(3-hydroxy-3-methylbut-1-en-1-yl)-2-oxo-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid
| Formula | C20H22O10 |
| Net Charge | 0 |
| Average Mass | 422.386 |
| Monoisotopic Mass | 422.12130 |
| SMILES | CC(C)(O)/C=C/c1cc2ccc(=O)oc2cc1OC1OC(C(=O)O)C(O)C(O)C1O |
| InChI | InChI=1S/C20H22O10/c1-20(2,27)6-5-10-7-9-3-4-13(21)28-11(9)8-12(10)29-19-16(24)14(22)15(23)17(30-19)18(25)26/h3-8,14-17,19,22-24,27H,1-2H3,(H,25,26)/b6-5+ |
| InChIKey | DSIBKTSLXUMSML-AATRIKPKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | feces (BTO:0000440) | MetaboLights (MTBLS5335) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,4,5-trihydroxy-6-{[6-(3-hydroxy-3-methylbut-1-en-1-yl)-2-oxo-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:193505) is a coumarins (CHEBI:23403) |
| 3,4,5-trihydroxy-6-{[6-(3-hydroxy-3-methylbut-1-en-1-yl)-2-oxo-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:193505) is a glycoside (CHEBI:24400) |