Dataset

Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-)

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS042210 contains the MS2 mass spectrum of Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-) with the InChIkey JPUKWEQWGBDDQB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2
SMILES	C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
InChI Key	JPUKWEQWGBDDQB-UHFFFAOYSA-N
Molecular Formula	C21H20O11
Exact Mass	448.380 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-PS042210
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:08:11.592328
MetadataModified	2024-01-11T21:08:11.738917
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
5462193	PubChem
60024209	NMRShiftDB
PD086921	ProbesDrugs
HMDB0257804	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.