7-GlcA tricin (NMR)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001219
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001219 contains the MS2 mass spectrum of 7-GlcA tricin (NMR) with the InChIkey HJWFFBNADKDQPV-KHYDEXNFSA-N.
Source: 7-GlcA tricin (NMR)
Chemical Info
| InChI | InChI=1S/C23H22O13/c1-32-14-3-8(4-15(33-2)17(14)26)12-7-11(25)16-10(24)5-9(6-13(16)35-12)34-23-20(29)18(27)19(28)21(36-23)22(30)31/h3-7,18-21,23-24,26-29H,1-2H3,(H,30,31)/t18-,19-,20+,21-,23+/m0/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)C(O)=O |
| InChI Key | HJWFFBNADKDQPV-KHYDEXNFSA-N |
| Molecular Formula | C23H22O13 |
| Exact Mass | 506.106 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 | eded3745-bbb7-4158-90c6-1761ed0d546c |
| Package id | msbnk-bs-bs001219 |
| Resource type | HTML |
| State | active |