3-Glu-7-Rha Quercetin (NMR)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001034
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001034 contains the MS mass spectrum of 3-Glu-7-Rha Quercetin (NMR) with the InChIkey OTUCXMIQUNROBJ-DWZPKPSVSA-N.
Source: 3-Glu-7-Rha Quercetin (NMR)
Chemical Info
| InChI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,18+,20-,21-,22+,23+,26-,27-/m0/s1 |
|---|---|
| SMILES | C1(=CC(=C2C(=C1)OC(=C(C2=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)C4=CC=C(C(=C4)O)O)O)O[C@@H]5O[C@H]([C@H]([C@@H]([C@H]5O)O)O)C |
| InChI Key | OTUCXMIQUNROBJ-DWZPKPSVSA-N |
| Molecular Formula | C27H30O16 |
| Exact Mass | 610.153 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 | c8de5509-2116-4a9e-a09a-57ecd02ee1da |
| Package id | msbnk-bs-bs001034 |
| Resource type | HTML |
| State | active |