Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	52795
Common Name:	(+)-syringaresinol
Systematic Name:	(7alpha,7'alpha,8alpha,8'alpha)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol
Synonyms:	(+)-Syringaresinol; Phenol, 4,4'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diyl)bis(2,6-dimethoxy-, (1S-(1alpha,3aalpha,4alpha,6aalpha))- [PubChem Synonyms]
Exact Mass:	418.1628 (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:	C22H26O8
InChIKey:	KOWMJRJXZMEZLD-HCIHMXRSSA-N
ClassyFire superclass:	Lignans, neolignans and related compounds [C0001392]
ClassyFire class:	Furanoid lignans [C0003686]
ClassyFire subclass:	Furanoid lignans [C0003686]
ClassyFire direct parent:	Aromatic heteropolycyclic compounds
SMILES:	COc1cc(cc(c1O)OC)[C@@H]1[C@H]2CO[C@H](c3cc(c(c(c3)OC)O)OC)[C@H]2CO1
Studies:	Available studies(via PubChem CID)

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PubChem CID:	443023
CHEBI ID:	47
HMDB ID:	HMDB0303494

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