Dataset

4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS043810 contains the MS2 mass spectrum of 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein with the InChIkey KYQZWONCHDNPDP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2
SMILES	C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O
InChI Key	KYQZWONCHDNPDP-UHFFFAOYSA-N
Molecular Formula	C21H20O9
Exact Mass	416.382 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS043810
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:06:53.819812
MetadataModified	2024-01-11T21:06:53.988795
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD056316	ProbesDrugs
14855684	PubChem: Thomson Pharma
70128103	NMRShiftDB
4183640	PubChem
2735803	eMolecules
SCHEMBL3423674	SureChEMBL
CHEMBL115316	ChEMBL
MCULE-3802707688	Mcule
HMDB0247842	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.