Dataset

isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS084607 contains the MS2 mass spectrum of isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc with the InChIkey DGGOLFCPSUVVHX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2
SMILES	C1C(OC2=C(C1=O)C=CC(=C2O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O
InChI Key	DGGOLFCPSUVVHX-UHFFFAOYSA-N
Molecular Formula	C21H22O11
Exact Mass	450.396 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-PS084607
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:11:55.490943
MetadataModified	2025-02-09T19:06:40.978753
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD158164	ProbesDrugs
179855	ChEBI
LMPK12140092	LipidMaps
MCULE-5380878506	Mcule
29910052	eMolecules
12309901	PubChem
The data in this table is sourced from UniChem at EBI.