Dataset

Formononetin

This MassBank record with Accession MSBNK-BS-BS003355 contains the MS2 mass spectrum of Formononetin with the InChIkey HKQYGTCOTHHOMP-UHFFFAOYSA-N.

InChI	InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
SMILES	C(OC1=C(C(=C(C(=C1[H])[H])C2=C(OC3=C(C2=O)C(=C(C(=C3[H])O[H])[H])[H])[H])[H])[H])([H])([H])[H]
InChI Key	HKQYGTCOTHHOMP-UHFFFAOYSA-N
Molecular Formula	C16H12O4
Exact Mass	268.074 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-BS003355
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:34:00.040937
MetadataModified	2024-01-11T12:34:00.220253
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C00858	KEGG Ligand
CHEMBL242341	ChEMBL
18088	ChEBI
49684258	PubChem: Drugs of the Future
FORMONONETIN	clinicaltrials
HY-N0183	MedChemExpress
2655	Brenda
240561	Brenda
50021398	BindingDB
LMPK12050037	LipidMaps
J12.525C	Nikkaji
KOVWIB	CCDC
DTXSID4022311	EPA CompTox Dashboard
MCULE-4171151967	Mcule
SCHEMBL62915	SureChEMBL
513312	eMolecules
HMDB0005808	Human Metabolome Database
CB0331896	ChemicalBook
DB15335	DrugBank
ZINC000018847036	ZINC
MTBLC18088	Metabolights
96508	Brenda
164091	Brenda
195605	Brenda
LSM-19000	LINCS
485-72-3	ACToR
5280378	PubChem
Formononetin(Formononetol)	Selleck
14872571	PubChem: Thomson Pharma
295DQC67BJ	FDA SRS
PD002254	ProbesDrugs
60015797	NMRShiftDB
The data in this table is sourced from UniChem at EBI.