Metabolomics Structure Database

 
MW REGNO: 29092
Common Name:2-Hexaprenyl-6-methoxyphenol
Systematic Name:2-hexaprenyl-6-methoxyphenol
RefMet Name:2-Hexaprenyl-6-methoxyphenol
Synonyms: [PubChem Synonyms]
Exact Mass:
532.4280 (neutral)    Calculate m/z:
Formula:C37H56O2
InChIKey:WVPRAWNIVDFQBO-DUBIXASGSA-N
LIPID MAPS Category:Prenol Lipids [PR]
LIPID MAPS mainclass:Quinones and hydroquinones [PR02]
LIPID MAPS subclass:Ubiquinones [PR0201]
SMILES:CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cccc(c1O)OC)/C)/C)/C)/C)/C)C
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5280825
LIPID MAPS ID:LMPR02010042
CHEBI ID:1109
HMDB ID:HMDB0006817
KEGG ID:C05802
Chemspider ID:4444374
MetaCyc ID:2-HEXAPRENYL-6-METHOXYPHENOL
Plant Metabolite Hub(Pmhub):MS000018874

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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