Ononin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT208620
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT208620 contains the MS2 mass spectrum of Ononin with the InChIkey MGJLSBDCWOSMHL-MIUGBVLSSA-N.
Source: Ononin
Chemical Info
| InChI | InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChI Key | MGJLSBDCWOSMHL-MIUGBVLSSA-N |
| Molecular Formula | C22H22O9 |
| Exact Mass | 430.409 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 | 3026da40-b080-4058-aa8e-36d0fe763e80 |
| Package id | msbnk-riken_respect-pt208620 |
| Resource type | HTML |
| State | active |