Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	45127
Common Name:	Cuminyl alcohol
Systematic Name:	[4-(propan-2-yl)phenyl]methanol
Synonyms:	[PubChem Synonyms]
Exact Mass:	150.1045 (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:	C10H14O
InChIKey:	OIGWAXDAPKFNCQ-UHFFFAOYSA-N
LIPID MAPS Category:	Prenol Lipids
LIPID MAPS mainclass:	Isoprenoids
LIPID MAPS subclass:	C10 isoprenoids
Massbank MS spectra:	View MS spectra
SMILES:	CC(C)c1ccc(cc1)CO
Studies:	-

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	325
CHEBI ID:	27628
HMDB ID:	HMDB0031817
KEGG ID:	C06576
Chemspider ID:	21105932
BMRB ID:	bmse000599
MetaCyc ID:	CPD-1002
Plant Metabolite Hub(Pmhub):	MS000019226
PhytoHub ID:	PHUB000979

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