RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0020234
RefMet name1-Naphthaldehyde
Systematic namenaphthalene-1-carbaldehyde
SynonymsPubChem Synonyms
Exact mass156.057515 (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
FormulaC11H8OView other entries in RefMet with this formula
Molecular descriptors
Molfile52572 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
InChIKeySQAINHDHICKHLX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1ccc2c(c1)cccc2C=O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassNaphthalenes
Sub ClassNaphthalenes
Distribution of 1-Naphthaldehyde in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 1-Naphthaldehyde
External Links
Pubchem CID6195
ChEBI ID52367
KEGG IDC14090
HMDB IDHMDB0060325
MetaCyc IDCPD-7614
Spectral data for 1-Naphthaldehyde standards
BMRB ID(NMR)View NMR spectra
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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