Metabolomics Structure Database

 
MW REGNO: 41494
Common Name:4-Hydroxybenzaldehyde
Systematic Name:4-hydroxybenzaldehyde
RefMet Name:4-Hydroxybenzaldehyde
Synonyms: [PubChem Synonyms]
Exact Mass:
122.0368 (neutral)    Calculate m/z:
Formula:C7H6O2
InChIKey:RGHHSNMVTDWUBI-UHFFFAOYSA-N
LIPID MAPS Category:Polyketides
LIPID MAPS mainclass:Phenolic acids
LIPID MAPS subclass:Phenolic acids
Massbank MS spectra:View MS spectra
SMILES:c1cc(ccc1C=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:126
CHEBI ID:17597
HMDB ID:HMDB0011718
KEGG ID:C00633
Chemspider ID:123
BMRB ID:bmse010005
MetaCyc ID:4-HYDROXYBENZALDEHYDE
Plant Metabolite Hub(Pmhub):MS000006797
PhytoHub ID:PHUB000542

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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