Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	70035
Common Name:	L-Normetanephrine
Systematic Name:	4-[(1R)-2-amino-1-hydroxy-ethyl]-2-methoxy-phenol
RefMet Name:	Normetanephrine
Synonyms:	AC1LELC5; Lopac-N-7127; SureCN4949341; NCGC00015746-01; C05589 [PubChem Synonyms]
Exact Mass:	183.0895 (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:	C9H13NO3
InChIKey:	YNYAYWLBAHXHLL-QMMMGPOBSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Phenols [C0000134]
ClassyFire subclass:	Methoxyphenols [C0000190]
ClassyFire direct parent:	Methoxyphenols [C0000190]
MoNA MS spectra:	View MS spectra
SMILES:	COc1cc(ccc1O)[C@H](CN)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	688100
HMDB ID:	HMDB0000819
KEGG ID:	C05589
Plant Metabolite Hub(Pmhub):	MS000010908

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