Dataset
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 |
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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 |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003899 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:35:33.728168 |
MetadataModified | 2024-01-11T12:35:33.897898 |
MetadataPublished | 2017-12-01 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
65064 | PubChem |
60021287 | NMRShiftDB |
PD002148 | ProbesDrugs |
259882 | Brenda |
BQM438CTEL | FDA SRS |
14906885 | PubChem: Thomson Pharma |
989-51-5 | ACToR |
863-65-0 | ACToR |
(-)-Epigallocatechin-gallate | Selleck |
14882390 | PubChem: Thomson Pharma |
LSM-5661 | LINCS |
7002 | Guide to Pharmacology |
FONGAT | CCDC |
MCULE-7760530136 | Mcule |
SCHEMBL35258 | SureChEMBL |
257141 | Brenda |
J134.058A | Nikkaji |
50070942 | BindingDB |
ZINC000003870412 | ZINC |
LMPK12030005 | LipidMaps |
DTXSID1029889 | EPA CompTox Dashboard |
MCULE-3341525983 | Mcule |
HY-13653 | MedChemExpress |
EPIGALLOCATECHIN GALLATE | rxnorm |
9591 | Brenda |
108981 | Brenda |
217248 | Brenda |
CB2227188 | ChemicalBook |
HMDB0003153 | Human Metabolome Database |
166004 | Brenda |
2607 | Brenda |
DB12116 | DrugBank |
54407 | Brenda |
1889 | Brenda |
67731 | Brenda |
6836 | Brenda |
135272 | Brenda |
1234 | Brenda |
2518 | Brenda |
144225 | Brenda |
3428 | Brenda |
MTBLC4806 | Metabolights |
SAM001247031 | NIH Clinical Collection |
KDH | PDBe |
C09731 | KEGG Ligand |
12014693 | PubChem: Drugs of the Future |
CHEMBL297453 | ChEMBL |
4806 | ChEBI |
515572 | eMolecules |
The data in this table is sourced from UniChem at EBI. |