Isohumulone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003208
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003208 contains the MS mass spectrum of Isohumulone with the InChIkey QARXXMMQVDCYGZ-UHFFFAOYSA-N.
Source: Isohumulone
Chemical Info
| InChI | InChI=1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3 |
|---|---|
| SMILES | C(C(C([H])([H])[H])(C(C(=O)C1=C(C(C(C1=O)(C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H])[H])(C(=O)C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H])O[H])O[H])([H])[H])[H])([H])([H])[H] |
| InChI Key | QARXXMMQVDCYGZ-UHFFFAOYSA-N |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209 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 | 30dfaeca-1140-430f-a3c3-9575615057aa |
| Package id | msbnk-bs-bs003208 |
| Resource type | HTML |
| State | active |