RefMet Compound Details

Created with Raphaƫl 2.1.0OO
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0138698
RefMet nameGalaxolidone
Systematic name4,6,6,7,8,8-hexamethyl-4,7-dihydro-3H-cyclopenta[g]isochromen-1-one
SynonymsPubChem Synonyms
Exact mass272.177630 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC18H24O2View other entries in RefMet with this formula
Molecular descriptors
Molfile201140 (Download molfile/View MW Metabolite Database details)
InChI
InChIKeyPGMHPYRIXBRRQD-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC1COC(=O)c2cc3c(cc12)C(C)(C)C(C)C3(C)C
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganoheterocyclic compounds
Main ClassBenzopyrans
Sub Class2-Benzopyrans
Distribution of Galaxolidone in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Galaxolidone
External Links
Pubchem CID69131857
ChEBI ID83519
Spectral data for Galaxolidone standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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