Paeoniflorin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307391
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR307391 contains the MS2 mass spectrum of Paeoniflorin with the InChIkey YKRGDOXKVOZESV-WRJNSLSBSA-N.
Source: Paeoniflorin
Chemical Info
| InChI | InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1 |
|---|---|
| SMILES | C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O |
| InChI Key | YKRGDOXKVOZESV-WRJNSLSBSA-N |
| Molecular Formula | C23H28O11 |
| Exact Mass | 480.163 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 | 56850d85-21de-474a-a8b1-9981e24241e7 |
| Package id | msbnk-riken-pr307391 |
| Resource type | HTML |
| State | active |