Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	47014
Common Name:	(-)-Matairesinol
Systematic Name:	(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
RefMet Name:	Matairesinol
Synonyms:	[PubChem Synonyms]
Exact Mass:	358.1416 (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:	C20H22O6
InChIKey:	MATGKVZWFZHCLI-LSDHHAIUSA-N
ClassyFire superclass:	Lignans, neolignans and related compounds [C0001392]
ClassyFire class:	Furanoid lignans [C0003686]
ClassyFire subclass:	Tetrahydrofuran lignans [C0001604]
ClassyFire direct parent:	Dibenzylbutyrolactone lignans [C0001613]
Massbank MS spectra:	View MS spectra
SMILES:	COc1cc(ccc1O)C[C@H]1COC(=O)[C@@H]1Cc1ccc(c(c1)OC)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	119205
CHEBI ID:	65005
HMDB ID:	HMDB0035698
KEGG ID:	C10682
Chemspider ID:	106491
MetaCyc ID:	CPD-8912
Plant Metabolite Hub(Pmhub):	MS000005018
PhytoHub ID:	PHUB001388

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