Kaempferol-3-glucuronoside, Kaem-3-GlcA,...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS092402
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS092402 contains the MS2 mass spectrum of Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide with the InChIkey...
Source: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide
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) |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O |
| InChI Key | FNTJVYCFNVUBOL-UHFFFAOYSA-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 4.0 International (CC BY-NC 4.0) |
| Id | 6a4ce114-8512-493a-8d55-544a74cf8f85 |
| Package id | msbnk-riken_respect-ps092402 |
| Resource type | HTML |
| State | active |