Dataset

Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS041906 contains the MS2 mass spectrum of Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside with the InChIkey CQLRUIIRRZYHHS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3
SMILES COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
InChI Key CQLRUIIRRZYHHS-UHFFFAOYSA-N
Molecular Formula C22H22O12
Exact Mass 478.406 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-PS041906
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:06:51.771990
MetadataModified 2024-01-11T21:06:51.930745
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
13245586 PubChem
LMPK12112315 LipidMaps
MCULE-9045064896 Mcule
139461 ChEBI
PD118492 ProbesDrugs
17147638 eMolecules
60024495 NMRShiftDB
SCHEMBL13926870 SureChEMBL
The data in this table is sourced from UniChem at EBI.