Dataset

Formononetin

This MassBank record with Accession MSBNK-BS-BS003357 contains the MS2 mass spectrum of Formononetin with the InChIkey HKQYGTCOTHHOMP-UHFFFAOYSA-N.

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003357
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:07.309055
MetadataModified 2024-01-11T12:34:07.475215
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.