Dataset

Biochanin A

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00754 contains the MS2 mass spectrum of Biochanin A 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	COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O
InChI Key	WUADCCWRTIWANL-UHFFFAOYSA-N
Molecular Formula	C16H12O5
Exact Mass	284.068 g/mol

Data and Resources

Biochanin AHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00754
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:25:00.853412
MetadataModified	2024-01-11T22:25:01.023188
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
IHAHIL	CCDC
J11.761G	Nikkaji
MCULE-6764919720	Mcule
5280373	PubChem
60022417	NMRShiftDB
PD001613	ProbesDrugs
U13J6U390T	FDA SRS
14799798	PubChem: Thomson Pharma
SCHEMBL61258	SureChEMBL
Biochanin-A(4-Methylgenistein)	Selleck
491-80-5	ACToR
HY-14595	MedChemExpress
1435	Brenda
LMPK12050229	LipidMaps
9461	BindingDB
ZINC000018847037	ZINC
DTXSID1022394	EPA CompTox Dashboard
105595	Brenda
MTBLC17574	Metabolights
DB15334	DrugBank
CB8474490	ChemicalBook
HMDB0002338	Human Metabolome Database
481798	eMolecules
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.