Cyanidin-3-O-sophoroside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR306869
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR306869 contains the MS2 mass spectrum of Cyanidin-3-O-sophoroside with the InChIkey SXYMMDGPXYVCER-UHFFFAOYSA-O.
Source: Cyanidin-3-O-sophoroside
Chemical Info
| InChI | InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1 |
|---|---|
| SMILES | OCC1OC(OC2C(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)OC(CO)C(O)C2O)C(O)C(O)C1O |
| InChI Key | SXYMMDGPXYVCER-UHFFFAOYSA-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 | a984ab1c-f788-4433-a2d9-3b499d7a1578 |
| Package id | msbnk-riken-pr306869 |
| Resource type | HTML |
| State | active |