Dataset

Desmethylxanthohumol

This MassBank record with Accession MSBNK-BS-BS003120 contains the MS2 mass spectrum of Desmethylxanthohumol with the InChIkey FUSADYLVRMROPL-UXBLZVDNSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+
SMILES C(C(=C(C(C1=C(C(=C(C(=C1O[H])C(=O)/C(=C(/C2=C(C(=C(C(=C2[H])[H])O[H])[H])[H])\[H])/[H])O[H])[H])O[H])([H])[H])[H])C([H])([H])[H])([H])([H])[H]
InChI Key FUSADYLVRMROPL-UXBLZVDNSA-N
Molecular Formula C20H20O5
Exact Mass 340.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003120
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:02.092600
MetadataModified 2024-01-11T12:34:02.267117
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL466143 ChEMBL
C16416 KEGG Ligand
ZINC000005158935 ZINC
50358099 BindingDB
80489 ChEBI
HY-122966 MedChemExpress
CB8371854 ChemicalBook
HMDB0030610 Human Metabolome Database
212587 Brenda
MTBLC80489 Metabolights
J3.588.293F Nikkaji
60023820 NMRShiftDB
6443339 PubChem
8L48JN7T3E FDA SRS
115063-39-3 ACToR
15050863 PubChem: Thomson Pharma
J1.068.808F Nikkaji
SCHEMBL1023989 SureChEMBL
The data in this table is sourced from UniChem at EBI.