Dataset

Formononetin-7-O-glucoside (Ononin)

This MassBank record with Accession MSBNK-BS-BS003482 contains the MS2 mass spectrum of Formononetin-7-O-glucoside (Ononin) with the InChIkey MGJLSBDCWOSMHL-MIUGBVLSSA-N.

Chemical Info

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

Formononetin-7-O-glucoside (Ononin)HTML
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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-BS003482
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:36:41.932515
MetadataModified	2024-01-11T12:36:42.169731
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
442813	PubChem
14856525	PubChem: Thomson Pharma
486-62-4	ACToR
PD052373	ProbesDrugs
Z0Z637970U	FDA SRS
60022418	NMRShiftDB
7775	Rhea
MolPort-001-740-570	MolPort
MTBLC7775	Metabolights
110935	Brenda
16085	Brenda
45526	Brenda
155656	Brenda
138485	Brenda
C10509	KEGG Ligand
CHEMBL465980	ChEMBL
7775	ChEBI
530201	eMolecules
50409313	BindingDB
J12.916J	Nikkaji
SCHEMBL240476	SureChEMBL
MCULE-9870135362	Mcule
LMPK12050014	LipidMaps
HY-N0270	MedChemExpress
MCULE-5020661304	Mcule
ZINC000001081322	ZINC
The data in this table is sourced from UniChem at EBI.