Dataset

6,7,4'-Trihydroxyisoflavone

This MassBank record with Accession MSBNK-BS-BS003284 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-BS003284
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:32.099265
MetadataModified 2024-01-11T12:34:32.278607
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C14314 KEGG Ligand
CHEMBL239156 ChEMBL
674 PDBe
532756 eMolecules
221746 Brenda
PD125203 ProbesDrugs
15269563 PubChem: Thomson Pharma
5284649 PubChem
74957 ChEBI
17817-31-1 ACToR
SCHEMBL73999 SureChEMBL
CB8397160 ChemicalBook
HMDB0031715 Human Metabolome Database
62440 Brenda
25428 Brenda
16773 Brenda
MTBLC74957 Metabolights
DTXSID8022452 EPA CompTox Dashboard
LMPK12050102 LipidMaps
ZINC000000391977 ZINC
HY-N5072 MedChemExpress
J254.133E Nikkaji
50222303 BindingDB
MolPort-003-939-712 MolPort
PLM2K574GE FDA SRS
The data in this table is sourced from UniChem at EBI.