Dataset

Formononetin-7-O-glucoside (Ononin)

This MassBank record with Accession MSBNK-BS-BS003485 contains the MS mass spectrum of Formononetin-7-O-glucoside (Ononin) with the InChIkey MGJLSBDCWOSMHL-MIUGBVLSSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
SMILES COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI Key MGJLSBDCWOSMHL-MIUGBVLSSA-N
Molecular Formula C22H22O9
Exact Mass 430.126 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-BS003485
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:27.714541
MetadataModified 2024-01-11T12:35:27.899035
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14856525 PubChem: Thomson Pharma
60022418 NMRShiftDB
486-62-4 ACToR
Z0Z637970U FDA SRS
PD052373 ProbesDrugs
J12.916J Nikkaji
MCULE-9870135362 Mcule
SCHEMBL240476 SureChEMBL
442813 PubChem
7775 Rhea
110935 Brenda
45526 Brenda
138485 Brenda
155656 Brenda
16085 Brenda
MTBLC7775 Metabolights
ZINC000001081322 ZINC
50409313 BindingDB
LMPK12050014 LipidMaps
HY-N0270 MedChemExpress
MCULE-5020661304 Mcule
C10509 KEGG Ligand
CHEMBL465980 ChEMBL
7775 ChEBI
530201 eMolecules
The data in this table is sourced from UniChem at EBI.