Malvidin-3-O-glucoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305591
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR305591 contains the MS2 mass spectrum of Malvidin-3-O-glucoside with the InChIkey PXUQTDZNOHRWLI-UHFFFAOYSA-O.
Source: Malvidin-3-O-glucoside
Chemical Info
| InChI | InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1 |
|---|---|
| SMILES | COC1=CC(=CC(OC)=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(O)=CC(O)=CC2=[O+]1 |
| InChI Key | PXUQTDZNOHRWLI-UHFFFAOYSA-O |
| Molecular Formula | [C23H25O12]+ |
| Exact Mass | 493.441 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 | bd91ff31-13da-4572-90fc-e83d3767caa6 |
| Package id | msbnk-riken-pr305591 |
| Resource type | HTML |
| State | active |