Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	45207
Common Name:	4-Hydroxy-3-methoxybenzenemethanol
Systematic Name:	4-(hydroxymethyl)-2-methoxyphenol
RefMet Name:	4-Hydroxy-3-methoxybenzenemethanol
Synonyms:	[PubChem Synonyms]
Exact Mass:	154.0630 (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:	C8H10O3
InChIKey:	ZENOXNGFMSCLLL-UHFFFAOYSA-N
LIPID MAPS Category:	Polyketides
LIPID MAPS mainclass:	Phenolic acids
LIPID MAPS subclass:	Phenolic acids
SMILES:	COc1cc(ccc1O)CO
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	62348
CHEBI ID:	18353
HMDB ID:	HMDB0032012
KEGG ID:	C06317
Chemspider ID:	56139
BMRB ID:	bmse010010
MetaCyc ID:	VANILLYL-ALCOHOL
Plant Metabolite Hub(Pmhub):	MS000004308
PhytoHub ID:	PHUB001889

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