Dataset

3-Glu-7-Rha Quercetin (NMR)

This MassBank record with Accession MSBNK-BS-BS001034 contains the MS mass spectrum of 3-Glu-7-Rha Quercetin (NMR) with the InChIkey OTUCXMIQUNROBJ-DWZPKPSVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,18+,20-,21-,22+,23+,26-,27-/m0/s1
SMILES C1(=CC(=C2C(=C1)OC(=C(C2=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)C4=CC=C(C(=C4)O)O)O)O[C@@H]5O[C@H]([C@H]([C@@H]([C@H]5O)O)O)C
InChI Key OTUCXMIQUNROBJ-DWZPKPSVSA-N
Molecular Formula C27H30O16
Exact Mass 610.153 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-BS-BS001034
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:37:14.828340
MetadataModified 2024-01-11T12:37:15.048622
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134756434 PubChem
The data in this table is sourced from UniChem at EBI.