Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	69603
Common Name:	Wuweizisu C
Systematic Name:	(2R,3S,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyl-tetrahydrofuran
Synonyms:	schisandrin C; Schisandrin-C; AC1L9DW8; SureCN2406629; CHEMBL437412 [PubChem Synonyms]
Exact Mass:	384.1573 (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:	C22H24O6
InChIKey:	HTBWBWWADZJXID-TXEJJXNPSA-N
ClassyFire superclass:	Phenylpropanoids and polyketides [C0000261]
ClassyFire class:	Tannins [C0000238]
ClassyFire subclass:	Hydrolyzable tannins [C0001710]
ClassyFire direct parent:	Hydrolyzable tannins [C0001710]
SMILES:	C[C@H]1Cc2cc3c(c(c2c2c(C[C@H]1C)cc1c(c2OC)OCO1)OC)OCO3
Studies:	Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	443027
KEGG ID:	C10893
Plant Metabolite Hub(Pmhub):	MS000022005

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