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CHEBI:191445 - 3'-(6''-Galloylglucosyl)-phloroacetophenone
| Formula | C21H22O13 |
| Net Charge | 0 |
| Average Mass | 482.394 |
| Monoisotopic Mass | 482.10604 |
| SMILES | CC(=O)c1c(O)cc(O)c(C2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)c1O |
| InChI | InChI=1S/C21H22O13/c1-6(22)13-8(23)4-9(24)14(17(13)29)20-19(31)18(30)16(28)12(34-20)5-33-21(32)7-2-10(25)15(27)11(26)3-7/h2-4,12,16,18-20,23-31H,5H2,1H3 |
| InChIKey | OSPSKZAEYSNSGH-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ulmus parvifolia (ncbitaxon:63058) | |||
| seed (BTO:0001226) | MetaboLights (MTBLS4572) | ||
| bark (BTO:0001301) | MetaboLights (MTBLS4572) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3'-(6''-Galloylglucosyl)-phloroacetophenone (CHEBI:191445) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| [6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Manual Xrefs | Databases |
|---|---|
| 35014977 | ChemSpider |
| HMDB0040623 | HMDB |