Dataset

Quercetin-3,4'-O-di-beta-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR306707 contains the MS2 mass spectrum of Quercetin-3,4'-O-di-beta-glucoside with the InChIkey RPVIQWDFJPYNJM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-12-2-1-8(3-10(12)31)24-25(19(35)16-11(32)4-9(30)5-13(16)40-24)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2
SMILES OCC1OC(OC2=C(O)C=C(C=C2)C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O
InChI Key RPVIQWDFJPYNJM-UHFFFAOYSA-N
Molecular Formula C27H30O17
Exact Mass 626.520 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR306707
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:36:29.744476
MetadataModified 2025-02-09T18:39:41.506743
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70070506 NMRShiftDB
22630387 PubChem
HMDB0037363 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.