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