Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50546
Common Name:	Tetrahydropalmatine
Systematic Name:	(13aS)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline
RefMet Name:	Tetrahydropalmatine
Synonyms:	(-)-tetrahydropalmatine; (S)-(-)-tetrahydropalmatine; (S)-tetrahydropalmatine; 2,3,9,10-tetramethoxy-13aalpha-berbine; L-tetrahydropalmatine; tetrahydropalmatine [PubChem Synonyms]
Exact Mass:	355.1784 (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:	C21H25NO4
InChIKey:	AEQDJSLRWYMAQI-KRWDZBQOSA-N
ClassyFire superclass:	Alkaloids and derivatives [C0000279]
ClassyFire class:	Protoberberine alkaloids and derivatives [C0001909]
ClassyFire subclass:	Protoberberine alkaloids and derivatives [C0001909]
ClassyFire direct parent:	Aromatic heteropolycyclic compounds
MoNA MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	COc1ccc2C[C@H]3c4cc(c(cc4CCN3Cc2c1OC)OC)OC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	72301
CHEBI ID:	16563
MetaCyc ID:	TETRAHYDROPALMATINE
NP-MRD ID(NMR):	NP0030764
Plant Metabolite Hub(Pmhub):	MS000009751

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