7-Glu tricin (NMR)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001131
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001131 contains the MS2 mass spectrum of 7-Glu tricin (NMR) with the InChIkey JGXFMIJHKASCIZ-LDBVRRDLSA-N.
Source: 7-Glu tricin (NMR)
Chemical Info
| InChI | InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1 |
|---|---|
| SMILES | C1(=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C(=C3)OC)O)OC)O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO |
| InChI Key | JGXFMIJHKASCIZ-LDBVRRDLSA-N |
| Molecular Formula | C23H24O12 |
| Exact Mass | 492.127 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 | d0f7240e-9249-4a00-a501-67685a871892 |
| Package id | msbnk-bs-bs001131 |
| Resource type | HTML |
| State | active |