Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53937
Common Name:	Geranylhydroquinone
Systematic Name:	2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]benzene-1,4-diol
RefMet Name:	Geranylhydroquinone
Synonyms:	2-diprenyl-1,4-hydroquinone; geranyl-1,4-benzenediol; geranylhydroquinone; trans-(3,7-dimethyl-2,6-octadienyl)hydroquinone; trans-1,4-dihydroxy-2-(3,7-dimethyl-2,6-octadienyl)benzene [PubChem Synonyms]
Exact Mass:	246.1620 (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:	C16H22O2
InChIKey:	ZSCRTFONTNMQBL-NTUHNPAUSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
SMILES:	CC(=CCC/C(=C/Cc1cc(ccc1O)O)/C)C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5281857
CHEBI ID:	24233
MetaCyc ID:	CPD-9319
Plant Metabolite Hub(Pmhub):	MS000021919

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