Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	68642
Common Name:	5-exo-Hydroxy-1,2-campholide
Systematic Name:	(7R)-7-hydroxy-5,8,8-trimethyl-4-oxabicyclo[3.2.1]octan-3-one
RefMet Name:	5-exo-Hydroxy-1,2-campholide
Synonyms:	5-exo-Hydroxy-1,2-campholide; AC1L98R1 [PubChem Synonyms]
Exact Mass:	184.1099 (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:	C10H16O3
InChIKey:	CLHVOQQIYBCJNZ-PRZNWYJVSA-N
LIPID MAPS Category:	Fatty Acyls
LIPID MAPS mainclass:	Fatty esters
LIPID MAPS subclass:	Fatty lactones
SMILES:	CC1(C)C2CC(=O)OC1(C)C[C@H]2O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	440138
CHEBI ID:	2128
KEGG ID:	C03843
Plant Metabolite Hub(Pmhub):	MS000018096

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