Dataset

Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS043305 contains the MS2 mass spectrum of Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin with the InChIkey OVSQVDMCBVZWGM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2
SMILES C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
InChI Key OVSQVDMCBVZWGM-UHFFFAOYSA-N
Molecular Formula C21H20O12
Exact Mass 464.379 g/mol

Data and Resources

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-PS043305
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:06:38.360634
MetadataModified 2024-01-11T21:06:38.534385
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL33027 ChEMBL
4831391 eMolecules
60023992 NMRShiftDB
482-36-0 ACToR
SCHEMBL2286562 SureChEMBL
PD056278 ProbesDrugs
5378597 PubChem
513096 BindingDB
MCULE-8277123978 Mcule
HMDB0247252 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.