7-Glu Chrysoeriol (NMR)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001167
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001167 contains the MS mass spectrum of 7-Glu Chrysoeriol (NMR) with the InChIkey GAMYVSCDDLXAQW-MIUGBVLSSA-N.
Source: 7-Glu Chrysoeriol (NMR)
Chemical Info
| InChI | InChI=1S/C22H22O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1 |
|---|---|
| SMILES | C1(=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C(=C3)OC)O)O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO |
| InChI Key | GAMYVSCDDLXAQW-MIUGBVLSSA-N |
| Molecular Formula | C22H22O11 |
| Exact Mass | 462.116 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 | 0ca42ee4-ad46-4ea2-8666-c22a7b5b4d63 |
| Package id | msbnk-bs-bs001167 |
| Resource type | HTML |
| State | active |