Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	52924
Common Name:	Acronycidine
Systematic Name:	4,5,7,8-tetramethoxyfuro[2,3-b]quinoline
RefMet Name:	Acronycidine
Synonyms:	Acronycidine; Furo(2,3-b)quinoline, 4,5,7,8-tetramethoxy- [PubChem Synonyms]
Exact Mass:	289.0950 (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:	C15H15NO5
InChIKey:	XTCGYRFLVLFRGW-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Quinolines and derivatives [C0001253]
ClassyFire subclass:	Furanoquinolines [C0002374]
ClassyFire direct parent:	Furanoquinolines [C0002374]
SMILES:	COc1cc(c(c2c1c(c1ccoc1n2)OC)OC)OC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	95708
CHEBI ID:	2436
KEGG ID:	C10631
Plant Metabolite Hub(Pmhub):	MS000021794

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