Peonidin-3,5-O-di-beta-glucoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303260
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303260 contains the MS2 mass spectrum of Peonidin-3,5-O-di-beta-glucoside with the InChIkey IPVSUYLZIAYTOK-DPOJTEBASA-O.
Source: Peonidin-3,5-O-di-beta-glucoside
Chemical Info
| InChI | InChI=1S/C28H32O16/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32)/p+1/t18-,19-,20-,21-,22+,23+,24-,25-,27-,28-/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[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=CC2=[O+]1 |
| InChI Key | IPVSUYLZIAYTOK-DPOJTEBASA-O |
| Molecular Formula | [C28H33O16]+ |
| Exact Mass | 625.556 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 | 063b0e3c-dbf4-4d74-9988-b476f867ddb5 |
| Package id | msbnk-riken-pr303260 |
| Resource type | HTML |
| State | active |