Cyanidin-3-O-rutinoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302331
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR302331 contains the MS2 mass spectrum of Cyanidin-3-O-rutinoside with the InChIkey USNPULRDBDVJAO-FXCAAIILSA-O.
Source: Cyanidin-3-O-rutinoside
Chemical Info
| InChI | InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1 |
|---|---|
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| InChI Key | USNPULRDBDVJAO-FXCAAIILSA-O |
| Molecular Formula | [C27H31O15]+ |
| Exact Mass | 595.530 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 | fbdf3954-21b7-4db2-b9a2-2a4e02bfe31e |
| Package id | msbnk-riken-pr302331 |
| Resource type | HTML |
| State | active |