Dataset

Daidzein-8-C-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR302191 contains the MS2 mass spectrum of Daidzein-8-C-glucoside with the InChIkey HKEAFJYKMMKDOR-VPRICQMDSA-N.

Chemical Info

InChI	InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
SMILES	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=CC2=C1OC=C(C2=O)C1=CC=C(O)C=C1
InChI Key	HKEAFJYKMMKDOR-VPRICQMDSA-N
Molecular Formula	C21H20O9
Exact Mass	416.382 g/mol

Data and Resources

Daidzein-8-C-glucosideHTML
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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-RIKEN-PR302191
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:33:19.986854
MetadataModified	2025-02-09T18:24:04.003257
MetadataPublished	2019-03-28
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MTBLC8633	Metabolights
HMDB0240265	Human Metabolome Database
ZINC000004098745	ZINC
21884	Brenda
DB12290	DrugBank
SCHEMBL8581666	SureChEMBL
Z9W8997416	FDA SRS
20218081	NMRShiftDB
531159	eMolecules
5281807	PubChem
16307054	PubChem: Thomson Pharma
PD019429	ProbesDrugs
12015641	PubChem: Drugs of the Future
CHEMBL486386	ChEMBL
C10524	KEGG Ligand
LMPK12050005	LipidMaps
PUERARIN	clinicaltrials
NPI 031G	clinicaltrials
CADQUT	CCDC
8633	ChEBI
J16.365A	Nikkaji
HY-N0145	MedChemExpress
50129558	BindingDB
The data in this table is sourced from UniChem at EBI.