Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	43118
Common Name:	Phenmetrazine
Systematic Name:	3-methyl-2-phenylmorpholine
RefMet Name:	Phenmetrazine
Synonyms:	[PubChem Synonyms]
Exact Mass:	177.1154 (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:	C11H15NO
InChIKey:	OOBHFESNSZDWIU-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Oxazinanes [C0000107]
ClassyFire subclass:	Morpholines [C0000392]
ClassyFire direct parent:	Phenylmorpholines [C0000370]
MoNA MS spectra:	View MS spectra
SMILES:	CC1C(c2ccccc2)OCCN1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	4762
CHEBI ID:	775159
HMDB ID:	HMDB0014968
KEGG ID:	C07432
Chemspider ID:	4598
EPA CompTox DB:	DTXCID603455
Plant Metabolite Hub(Pmhub):	MS000001807

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