Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	45160
Common Name:	Norfuraneol
Systematic Name:	4-hydroxy-5-methyl-2,3-dihydrofuran-3-one
RefMet Name:	Norfuraneol
Synonyms:	[PubChem Synonyms]
Exact Mass:	114.0317 (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:	C5H6O3
InChIKey:	DLVYTANECMRFGX-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Dihydrofurans [C0001983]
ClassyFire subclass:	Furanones [C0001982]
ClassyFire direct parent:	Furanones [C0001982]
SMILES:	CC1=C(C(=O)CO1)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	4564493
CHEBI ID:	74456
HMDB ID:	HMDB0031859
Chemspider ID:	3757733
Plant Metabolite Hub(Pmhub):	MS000068218

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