Dataset
![molecular Image]()
Epigallocatechin gallate
Chemical Info
| InChI | InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 |
|---|---|
| SMILES | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| InChI Key | WMBWREPUVVBILR-WIYYLYMNSA-N |
| Molecular Formula | C22H18O11 |
| Exact Mass | 458.085 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003901 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T12:36:48.691056 |
| MetadataModified | 2024-01-11T12:36:48.858983 |
| MetadataPublished | 2017-12-01 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 259882 | Brenda |
| 14882390 | PubChem: Thomson Pharma |
| (-)-Epigallocatechin-gallate | Selleck |
| 863-65-0 | ACToR |
| 989-51-5 | ACToR |
| LSM-5661 | LINCS |
| BQM438CTEL | FDA SRS |
| 14906885 | PubChem: Thomson Pharma |
| PD002148 | ProbesDrugs |
| 60021287 | NMRShiftDB |
| 135272 | Brenda |
| 1234 | Brenda |
| 67731 | Brenda |
| 1889 | Brenda |
| 54407 | Brenda |
| DB12116 | DrugBank |
| 2607 | Brenda |
| 166004 | Brenda |
| HMDB0003153 | Human Metabolome Database |
| CB2227188 | ChemicalBook |
| 217248 | Brenda |
| 9591 | Brenda |
| MTBLC4806 | Metabolights |
| 3428 | Brenda |
| 144225 | Brenda |
| 2518 | Brenda |
| 108981 | Brenda |
| 6836 | Brenda |
| SCHEMBL35258 | SureChEMBL |
| MCULE-7760530136 | Mcule |
| 65064 | PubChem |
| 515572 | eMolecules |
| KDH | PDBe |
| SAM001247031 | NIH Clinical Collection |
| C09731 | KEGG Ligand |
| 12014693 | PubChem: Drugs of the Future |
| 4806 | ChEBI |
| CHEMBL297453 | ChEMBL |
| J134.058A | Nikkaji |
| 7002 | Guide to Pharmacology |
| ZINC000003870412 | ZINC |
| LMPK12030005 | LipidMaps |
| DTXSID1029889 | EPA CompTox Dashboard |
| MCULE-3341525983 | Mcule |
| HY-13653 | MedChemExpress |
| EPIGALLOCATECHIN GALLATE | rxnorm |
| 50070942 | BindingDB |
| FONGAT | CCDC |
| 257141 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |