Dataset

Formononetin

This MassBank record with Accession MSBNK-RIKEN-PR100312 contains the MS2 mass spectrum of Formononetin with the InChIkey HKQYGTCOTHHOMP-UHFFFAOYSA-N.

Chemical Info

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	COc(c3)ccc(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1
InChI Key	HKQYGTCOTHHOMP-UHFFFAOYSA-N
Molecular Formula	C16H12O4
Exact Mass	268.074 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR100312
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:04:12.200117
MetadataModified	2025-02-09T17:36:11.086953
MetadataPublished	2016-01-19

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