Dataset

6,7,4'-Trihydroxyisoflavone

This MassBank record with Accession MSBNK-BS-BS003285 contains the MS2 mass spectrum of 6,7,4'-Trihydroxyisoflavone with the InChIkey GYLUFQJZYAJQDI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H
SMILES C1(=C(C(=C(C(=C1C2=C(OC3=C(C(=C(C(=C3C2=O)[H])O[H])O[H])[H])[H])[H])[H])O[H])[H])[H]
InChI Key GYLUFQJZYAJQDI-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.053 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-BS003285
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:35.425343
MetadataModified 2024-01-11T12:35:35.595260
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL239156 ChEMBL
C14314 KEGG Ligand
674 PDBe
532756 eMolecules
74957 ChEBI
5284649 PubChem
PD125203 ProbesDrugs
15269563 PubChem: Thomson Pharma
SCHEMBL73999 SureChEMBL
17817-31-1 ACToR
221746 Brenda
PLM2K574GE FDA SRS
J254.133E Nikkaji
50222303 BindingDB
HY-N5072 MedChemExpress
ZINC000000391977 ZINC
DTXSID8022452 EPA CompTox Dashboard
LMPK12050102 LipidMaps
CB8397160 ChemicalBook
25428 Brenda
HMDB0031715 Human Metabolome Database
MTBLC74957 Metabolights
16773 Brenda
62440 Brenda
The data in this table is sourced from UniChem at EBI.