Metabolomics Structure Database

 
MW REGNO: 46580
Common Name:Camphoric acid
Systematic Name:1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
200.1049 (neutral)    Calculate m/z:
Formula:C10H16O4
InChIKey:LSPHULWDVZXLIL-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Dicarboxylic acids and derivatives [C0000346]
ClassyFire direct parent:Dicarboxylic acids and derivatives [C0000346]
Massbank MS spectra:View MS spectra
SMILES:CC1(C)C(CCC1(C)C(=O)O)C(=O)O
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:21491
HMDB ID:HMDB0034491
Chemspider ID:20198
Plant Metabolite Hub(Pmhub):MS000092817

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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