Petunidin-3-O-beta-glucoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303058
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303058 contains the MS2 mass spectrum of Petunidin-3-O-beta-glucoside with the InChIkey CCQDWIRWKWIUKK-QKYBYQKWSA-O.
Source: Petunidin-3-O-beta-glucoside
Chemical Info
| InChI | InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1 |
|---|---|
| SMILES | COC1=CC(=CC(O)=C1O)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 | CCQDWIRWKWIUKK-QKYBYQKWSA-O |
| Molecular Formula | [C22H23O12]+ |
| Exact Mass | 479.414 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 | bbcdc25b-00a4-4050-83b1-5b650e2f863e |
| Package id | msbnk-riken-pr303058 |
| Resource type | HTML |
| State | active |