RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0128477
RefMet nameChrysosplenetin
Systematic name5,4'-Dihydroxy-3,6,7,3'-tetramethoxyflavone
SynonymsPubChem Synonyms
Exact mass374.100170 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC19H18O8View other entries in RefMet with this formula
Molecular descriptors
Molfile26092 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C19H18O8/c1-23-11-7-9(5-6-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
InChIKeyNBVTYGIYKCPHQN-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCOc1cc(ccc1O)c1c(c(=O)c2c(cc(c(c2O)OC)OC)o1)OC
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassFlavones and Flavonols
Distribution of Chrysosplenetin in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Chrysosplenetin
External Links
Pubchem CID5281608
LIPID MAPSLMPK12113009
ChEBI ID3689
KEGG IDC10030
HMDB IDHMDB0250217
MetaCyc IDCPD-10529
PhytoHub DBPHUB000656
Spectral data for Chrysosplenetin standards
NP-MRD ID(NMR)View NMR spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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