Dataset

Humulone

This MassBank record with Accession MSBNK-BS-BS003096 contains the MS2 mass spectrum of Humulone with the InChIkey VMSLCPKYRPDHLN-OAQYLSRUSA-N.

Chemical Info

molecular Image
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

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003096
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MetadataCreated 2024-01-11T12:38:25.882025
MetadataModified 2025-02-09T08:47:50.196899
MetadataPublished 2017-12-01
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