Dataset

Formononetin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81255 contains the MS 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 COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81255
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:41.610108
MetadataModified 2024-01-11T22:25:41.768004
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
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.