Dataset

Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS116702 contains the MS2 mass spectrum of Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside with the InChIkey PZZRDJXEMZMZFD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2
SMILES C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
InChI Key PZZRDJXEMZMZFD-UHFFFAOYSA-N
Molecular Formula C20H18O11
Exact Mass 434.353 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-PS116702
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:33:39.381554
MetadataModified 2025-02-09T19:07:15.783270
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0252965 Human Metabolome Database
513061 BindingDB
5878729 PubChem
SCHEMBL3641504 SureChEMBL
60022640 NMRShiftDB
PD087542 ProbesDrugs
14832433 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.