Dataset

Quercetin 3-O-[2''-O-b-D-glucopyranosyl]-a-L-rhamnopyranoside

This MassBank record with Accession MSBNK-RIKEN-PR307503 contains the MS2 mass spectrum of Quercetin 3-O-[2''-O-b-D-glucopyranosyl]-a-L-rhamnopyranoside with the InChIkey DFNXNCCYQRPZMD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H30O16/c1-8-17(33)21(37)25(43-26-22(38)20(36)18(34)15(7-28)41-26)27(39-8)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3
SMILES CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI Key DFNXNCCYQRPZMD-UHFFFAOYSA-N
Molecular Formula C27H30O16
Exact Mass 610.521 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-PR307503
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:03.446504
MetadataModified 2024-01-11T20:39:03.605963
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0040486 Human Metabolome Database
185492 ChEBI
60063797 NMRShiftDB
PD158846 ProbesDrugs
14238625 PubChem
The data in this table is sourced from UniChem at EBI.