Peonidin-3-O-glucoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302688
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR302688 contains the MS2 mass spectrum of Peonidin-3-O-glucoside with the InChIkey ZZWPMFROUHHAKY-OUUKCGNVSA-O.
Source: Peonidin-3-O-glucoside
Chemical Info
| InChI | InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,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=C2C(O)=CC(O)=CC2=[O+]1 |
| InChI Key | ZZWPMFROUHHAKY-OUUKCGNVSA-O |
| Molecular Formula | [C22H23O11]+ |
| Exact Mass | 463.415 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 | 1a70c846-cf2a-44ab-8013-08555b3a756a |
| Package id | msbnk-riken-pr302688 |
| Resource type | HTML |
| State | active |