Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	69306
Common Name:	6-Methoxytaxifolin
Systematic Name:	(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-chroman-4-one
RefMet Name:	6-Methoxytaxifolin
Synonyms:	C09770; AC1L9CS8 [PubChem Synonyms]
Exact Mass:	334.0689 (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:	C16H14O8
InChIKey:	FDRYLJGFQYHFHZ-LSDHHAIUSA-N
ClassyFire superclass:	Phenylpropanoids and polyketides [C0000261]
ClassyFire class:	Flavonoids [C0000334]
ClassyFire subclass:	O-methylated flavonoids [C0002585]
ClassyFire direct parent:	6-O-methylated flavonoids [C0002591]
SMILES:	COc1c(cc2c(C(=O)[C@@H]([C@@H](c3ccc(c(c3)O)O)O2)O)c1O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	442419
KEGG ID:	C09770
Plant Metabolite Hub(Pmhub):	MS000021008

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