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CHEBI:191669 - (-)-Epigallocatechin 3-(4-methyl-gallate)
| Formula | C23H20O11 |
| Net Charge | 0 |
| Average Mass | 472.402 |
| Monoisotopic Mass | 472.10056 |
| SMILES | COc1c(O)cc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)cc1O |
| InChI | InChI=1S/C23H20O11/c1-32-22-16(28)4-10(5-17(22)29)23(31)34-19-8-12-13(25)6-11(24)7-18(12)33-21(19)9-2-14(26)20(30)15(27)3-9/h2-7,19,21,24-30H,8H2,1H3/t19-,21-/m1/s1 |
| InChIKey | BMJHAAZDURGGSC-TZIWHRDSSA-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) |
| (-)-Epigallocatechin 3-(4-methyl-gallate) (CHEBI:191669) is a catechin (CHEBI:23053) |
| IUPAC Name |
|---|
| [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,5-dihydroxy-4-methoxybenzoate |
| Manual Xrefs | Databases |
|---|---|
| 355453 | ChemSpider |
| HMDB0040293 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:224434-07-5 | ChemIDplus |