Dataset

Kaempferol-3-O-galactoside-7-O-rhamnoside

This MassBank record with Accession MSBNK-RIKEN-PR302039 contains the MS2 mass spectrum of Kaempferol-3-O-galactoside-7-O-rhamnoside with the InChIkey JYXSWDCPHRTYGU-VYARGGPUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18-,20+,21-,22+,23+,26-,27-/m0/s1
SMILES C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
InChI Key JYXSWDCPHRTYGU-VYARGGPUSA-N
Molecular Formula C27H30O15
Exact Mass 594.522 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-PR302039
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:06.906519
MetadataModified 2024-01-11T20:41:07.079680
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60024816 NMRShiftDB
CHEMBL1929192 ChEMBL
LMPK12111672 LipidMaps
ZINC000082140596 ZINC
50359313 BindingDB
MTBLC68881 Metabolights
J646.614A Nikkaji
HMDB0037426 Human Metabolome Database
68881 ChEBI
57390614 PubChem
The data in this table is sourced from UniChem at EBI.