Rotenone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00711
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00711 contains the MS2 mass spectrum of Rotenone with the InChIkey JUVIOZPCNVVQFO-HBGVWJBISA-N.
Source: Rotenone
Chemical Info
| InChI | InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 |
|---|---|
| SMILES | CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC |
| InChI Key | JUVIOZPCNVVQFO-HBGVWJBISA-N |
| Molecular Formula | C23H22O6 |
| Exact Mass | 394.142 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 6f6b0d8b-9d3f-442d-9db9-42c819f18da3 |
| Package id | msbnk-washington_state_univ-bml00711 |
| Resource type | HTML |
| State | active |