Kaempferol-3-O-glucuronoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303187
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303187 contains the MS2 mass spectrum of Kaempferol-3-O-glucuronoside with the InChIkey FNTJVYCFNVUBOL-ZUGPOPFOSA-N.
Source: Kaempferol-3-O-glucuronoside
Chemical Info
| InChI | InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1 |
|---|---|
| SMILES | O[C@@H]1[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O |
| InChI Key | FNTJVYCFNVUBOL-ZUGPOPFOSA-N |
| Molecular Formula | C21H18O12 |
| Exact Mass | 462.363 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 | 9604560b-b8ce-4639-9511-aa965b99cd0b |
| Package id | msbnk-riken-pr303187 |
| Resource type | HTML |
| State | active |