Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	64837
Common Name:	(+)-5-oxo-1,2-campholide
Systematic Name:	(1S,5S)-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octane-3,6-dione
RefMet Name:	5-Oxo-1,2-campholide
Synonyms:	(+)-5-oxo-1,2-campholide [PubChem Synonyms]
Exact Mass:	182.0943 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H14O3
InChIKey:	UDJVKSCOEHSXBZ-LDWIPMOCSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Lactones [C0000050]
ClassyFire subclass:	Lactones [C0000050]
ClassyFire direct parent:	Aliphatic heteropolycyclic compounds
SMILES:	CC1(C)[C@@H]2CC(=O)O[C@@]1(C)CC2=O
Studies:	Available studies (via RefMet name)

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PubChem CID:	70678860
CHEBI ID:	66896

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