Dataset

Biochanin A (5,7-dihydroxy-4'-methoxyisoflavone)

This MassBank record with Accession MSBNK-BS-BS003040 contains the MS mass spectrum of Biochanin A (5,7-dihydroxy-4'-methoxyisoflavone) with the InChIkey WUADCCWRTIWANL-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
SMILES	C(OC1=C(C(=C(C(=C1[H])[H])C2=C(OC3=C(C(=C(C(=C3C2=O)O[H])[H])O[H])[H])[H])[H])[H])([H])([H])[H]
InChI Key	WUADCCWRTIWANL-UHFFFAOYSA-N
Molecular Formula	C16H12O5
Exact Mass	284.068 g/mol

Data and Resources

Biochanin A (5,7-dihydroxy-4'-methoxyisoflavone)HTML
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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-BS003040
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:35:49.772116
MetadataModified	2024-01-11T12:35:49.942495
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
481798	eMolecules
ZINC000018847037	ZINC
105595	Brenda
HMDB0002338	Human Metabolome Database
MTBLC17574	Metabolights
CB8474490	ChemicalBook
DB15334	DrugBank
5280373	PubChem
60022417	NMRShiftDB
PD001613	ProbesDrugs
U13J6U390T	FDA SRS
14799798	PubChem: Thomson Pharma
SCHEMBL61258	SureChEMBL
Biochanin-A(4-Methylgenistein)	Selleck
491-80-5	ACToR
MCULE-6764919720	Mcule
9461	BindingDB
J11.761G	Nikkaji
IHAHIL	CCDC
1435	Brenda
HY-14595	MedChemExpress
DTXSID1022394	EPA CompTox Dashboard
LMPK12050229	LipidMaps
C00814	KEGG Ligand
49684192	PubChem: Drugs of the Future
CHEMBL131921	ChEMBL
QSO	PDBe
17574	ChEBI
2829	Guide to Pharmacology
The data in this table is sourced from UniChem at EBI.