isookanin-7-O-glucoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302348
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR302348 contains the MS2 mass spectrum of isookanin-7-O-glucoside with the InChIkey DGGOLFCPSUVVHX-RTHJTPBESA-N.
Source: isookanin-7-O-glucoside
Chemical Info
| InChI | InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2/t14-,15+,16+,18-,19+,21+/m0/s1 |
|---|---|
| SMILES | OC[C@H]1O[C@@H](OC2=C(O)C3=C(C=C2)C(=O)C[C@H](O3)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI Key | DGGOLFCPSUVVHX-RTHJTPBESA-N |
| Molecular Formula | C21H22O11 |
| Exact Mass | 450.396 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 | 5e61e838-e141-479d-8791-3568744b0f51 |
| Package id | msbnk-riken-pr302348 |
| Resource type | HTML |
| State | active |