Dataset

Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS092409 contains the MS2 mass spectrum of Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide with the InChIkey FNTJVYCFNVUBOL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)
SMILES C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
InChI Key FNTJVYCFNVUBOL-UHFFFAOYSA-N
Molecular Formula C21H18O12
Exact Mass 462.363 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-PS092409
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:06:33.138325
MetadataModified 2024-01-11T21:06:33.313426
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
36736320 eMolecules
HMDB0029500 Human Metabolome Database
60025605 NMRShiftDB
14185731 PubChem
PD156567 ProbesDrugs
MCULE-4812603893 Mcule
The data in this table is sourced from UniChem at EBI.