Cyanidin-3,5-di-O-glucoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302895
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR302895 contains the MS2 mass spectrum of Cyanidin-3,5-di-O-glucoside with the InChIkey RDFLLVCQYHQOBU-ZOTFFYTFSA-O.
Source: Cyanidin-3,5-di-O-glucoside
Chemical Info
| InChI | InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1 |
|---|---|
| SMILES | OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI Key | RDFLLVCQYHQOBU-ZOTFFYTFSA-O |
| Molecular Formula | [C27H31O16]+ |
| Exact Mass | 611.529 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 | 0aaf533b-b84a-48fb-87b0-a1a2106cc4ee |
| Package id | msbnk-riken-pr302895 |
| Resource type | HTML |
| State | active |