Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37650
Common Name:	2(N)-Methyl-norsalsolinol
Systematic Name:	2-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
RefMet Name:	2(N)-Methyl-norsalsolinol
Synonyms:	[PubChem Synonyms]
Exact Mass:	179.0946 (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:	C10H13NO2
InChIKey:	WETXYFNVBDLWIW-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Tetrahydroisoquinolines [C0002955]
ClassyFire subclass:	Tetrahydroisoquinolines [C0002955]
ClassyFire direct parent:	Aromatic heteropolycyclic compounds
SMILES:	CN1CCc2cc(c(cc2C1)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	37764
CHEBI ID:	767276
HMDB ID:	HMDB0001189
Chemspider ID:	34632
Marine Natural Products DB:	CMNPD22503
Plant Metabolite Hub(Pmhub):	MS000138666

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