isorhamnetin-3-O-glucoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302938
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR302938 contains the MS2 mass spectrum of isorhamnetin-3-O-glucoside with the InChIkey CQLRUIIRRZYHHS-LFXZADKFSA-N.
Source: isorhamnetin-3-O-glucoside
Chemical Info
| InChI | InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1 |
|---|---|
| SMILES | COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C2=C(O)C=C(O)C=C2O1 |
| InChI Key | CQLRUIIRRZYHHS-LFXZADKFSA-N |
| Molecular Formula | C22H22O12 |
| Exact Mass | 478.406 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 | f48b4463-a453-4e5c-9f28-aebc7063a8cb |
| Package id | msbnk-riken-pr302938 |
| Resource type | HTML |
| State | active |