Epigallocatechin-3-gallate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302586
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR302586 contains the MS2 mass spectrum of Epigallocatechin-3-gallate with the InChIkey WMBWREPUVVBILR-WIYYLYMNSA-N.
Source: Epigallocatechin-3-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 |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 93b5cd92-c4bb-40a0-b3e7-394945daa91c |
| Package id | msbnk-riken-pr302586 |
| Resource type | HTML |
| State | active |