Dataset

Isoxanthohumol

This MassBank record with Accession MSBNK-BS-BS003212 contains the MS2 mass spectrum of Isoxanthohumol with the InChIkey YKGCBLWILMDSAV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
SMILES C(C(=C(C(C1=C(C(=C(C2=C1OC(C(C2=O)([H])[H])(C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])[H])OC([H])([H])[H])[H])O[H])([H])[H])[H])C([H])([H])[H])([H])([H])[H]
InChI Key YKGCBLWILMDSAV-UHFFFAOYSA-N
Molecular Formula C21H22O5
Exact Mass 354.147 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-BS003212
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:12.706223
MetadataModified 2024-01-11T12:34:12.905653
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL492828 ChEMBL
6859429 eMolecules
CB92446159 ChemicalBook
LMPK12140553 LipidMaps
50252521 BindingDB
171798 ChEBI
J120.928K Nikkaji
513197 PubChem
60023821 NMRShiftDB
15373952 PubChem: Thomson Pharma
SCHEMBL904557 SureChEMBL
PD064016 ProbesDrugs
The data in this table is sourced from UniChem at EBI.