Cyanidin 3-(2G-glucosylrutinoside)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303781
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303781 contains the MS2 mass spectrum of Cyanidin 3-(2G-glucosylrutinoside) with the InChIkey MSUVUDCULKNUJL-UHFFFAOYSA-O.
Chemical Info
| InChI | InChI=1S/C33H40O20/c1-10-21(39)24(42)27(45)31(48-10)47-9-20-23(41)26(44)30(53-32-28(46)25(43)22(40)19(8-34)51-32)33(52-20)50-18-7-13-15(37)5-12(35)6-17(13)49-29(18)11-2-3-14(36)16(38)4-11/h2-7,10,19-28,30-34,39-46H,8-9H2,1H3,(H3-,35,36,37,38)/p+1 |
|---|---|
| SMILES | CC1OC(OCC2OC(OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C3=CC(O)=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
| InChI Key | MSUVUDCULKNUJL-UHFFFAOYSA-O |
| Molecular Formula | [C33H41O20]+ |
| Exact Mass | 757.671 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 | 282b666b-9a05-448d-bdad-499cc4e6ef24 |
| Package id | msbnk-riken-pr303781 |
| Resource type | HTML |
| State | active |