Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	63261
Common Name:	(6E)-8-hydroxygeraniol
Systematic Name:	(2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol
RefMet Name:	8-Hydroxygeraniol
Synonyms:	(6E)-8-hydroxygeraniol; (E)-8-hydroxygeraniol; 8-Hydroxygeraniol; trans,trans-2,6-dimethyl-2,6-octadiene-1,8-diol [PubChem Synonyms]
Exact Mass:	170.1307 (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:	C10H18O2
InChIKey:	PREUOUJFXMCMSJ-TXFIJWAUSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
SMILES:	C/C(=CCO)/CC/C=C(C)/CO
Studies:	Available studies (via RefMet name)

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PubChem CID:	5363397
LIPID MAPS ID:	LMPR0102010030
CHEBI ID:	64235
HMDB ID:	HMDB0303979
MetaCyc ID:	CPD-7857
PhytoHub ID:	PHUB001845

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