Dataset

Kaempferol-3-O-galactoside-7-O-rhamnoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR302015 contains the MS2 mass spectrum of Kaempferol-3-O-galactoside-7-O-rhamnoside with the InChIkey JYXSWDCPHRTYGU-VYARGGPUSA-N.

Chemical Information

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-PR302015
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    60024816 NMRShiftDB
    CHEMBL1929192 ChEMBL
    LMPK12111672 LipidMaps
    68881 ChEBI
    ZINC000082140596 ZINC
    MTBLC68881 Metabolights
    50359313 BindingDB
    J646.614A Nikkaji
    HMDB0037426 Human Metabolome Database
    57390614 PubChem
    The data in this table is sourced from UniChem at EBI.