Catechin gallate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003891
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003891 contains the MS2 mass spectrum of Catechin gallate with the InChIkey LSHVYAFMTMFKBA-CTNGQTDRSA-N.
Source: Catechin gallate
Chemical Info
| InChI | InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1 |
|---|---|
| SMILES | C1([C@]([H])([C@@]([H])(OC2=C(C(=C(C(=C21)O[H])[H])O[H])[H])C3=C(C(=C(C(=C3[H])[H])O[H])O[H])[H])OC(=O)C4=C(C(=C(C(=C4[H])O[H])O[H])O[H])[H])([H])[H] |
| InChI Key | LSHVYAFMTMFKBA-CTNGQTDRSA-N |
| Molecular Formula | C22H18O10 |
| Exact Mass | 442.090 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 | 1f5948b8-7c8e-4ac9-9644-673fc2bb9ee0 |
| Package id | msbnk-bs-bs003891 |
| Resource type | HTML |
| State | active |