Humulone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003096
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003096 contains the MS2 mass spectrum of Humulone with the InChIkey VMSLCPKYRPDHLN-OAQYLSRUSA-N.
Source: Humulone
Chemical Info
| InChI | InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C(=C([C@@](C1=O)(CC=C(C)C)O)O)CC=C(C)C)O |
| InChI Key | VMSLCPKYRPDHLN-OAQYLSRUSA-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 | ddce456a-81bc-4969-b37c-5281cd3e4558 |
| Package id | msbnk-bs-bs003096 |
| Resource type | HTML |
| State | active |