Dataset

Genistein

This MassBank record with Accession MSBNK-BS-BS003057 contains the MS mass spectrum of Genistein with the InChIkey TZBJGXHYKVUXJN-UHFFFAOYSA-N.

InChI	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
SMILES	C1(=C(C(=C(C(=C1C2=C(OC3=C(C(=C(C(=C3C2=O)O[H])[H])O[H])[H])[H])[H])[H])O[H])[H])[H]
InChI Key	TZBJGXHYKVUXJN-UHFFFAOYSA-N
Molecular Formula	C15H10O5
Exact Mass	270.053 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003057
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:36:26.572780
MetadataModified	2024-01-11T12:36:26.732168
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C06563	KEGG Ligand
DB01645	DrugBank
CHEMBL44	ChEMBL
GEN	PDBe
28088	ChEBI
49684188	PubChem: Drugs of the Future
GENIST	CCDC
J39.883G	Nikkaji
229472	Brenda
LMPK12050218	LipidMaps
DTXSID5022308	EPA CompTox Dashboard
377	Brenda
43512	Brenda
229473	Brenda
GENISTEIN	rxnorm
BIO-300	clinicaltrials
HY-14596	MedChemExpress
GENISTEIN	clinicaltrials
19459	BindingDB
LSM-5549	LINCS
genestein	Atlas
446-72-0	ACToR
PD002146	ProbesDrugs
SCHEMBL19166	SureChEMBL
Genistein	Selleck
15197341	PubChem: Thomson Pharma
60023796	NMRShiftDB
DH2M523P0H	FDA SRS
genistein	Atlas
5280961	PubChem
ZINC000018825330	ZINC
2826	Guide to Pharmacology
CB6163787	ChemicalBook
PA165109660	PharmGKB
164054	Brenda
56864	Brenda
HMDB0003217	Human Metabolome Database
27105	Brenda
MTBLC28088	Metabolights
MCULE-4857649752	Mcule
532754	eMolecules
The data in this table is sourced from UniChem at EBI.