Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	68780
Common Name:	6-Methylpretetramide
Systematic Name:	1,3,10,11,12-pentahydroxy-6-methyl-tetracene-2-carboxamide
RefMet Name:	6-Methylpretetramide
Synonyms:	C06629; AC1L9AK5; CTK0J3619; 1,3,10,11,12-pentahydroxy-6-methyltetracene-2-carboxamide [PubChem Synonyms]
Exact Mass:	365.0899 (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:	C20H15NO6
InChIKey:	WBDQDVXPSGTJAV-UHFFFAOYSA-N
ClassyFire superclass:	Phenylpropanoids and polyketides [C0000261]
ClassyFire class:	Tetracyclines [C0000181]
ClassyFire subclass:	Tetracyclines [C0000181]
ClassyFire direct parent:	Aromatic homopolycyclic compounds
SMILES:	Cc1c2cccc(c2c(c2c1cc1cc(c(c(c1c2O)O)C(=O)N)O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	441107
KEGG ID:	C06629
Plant Metabolite Hub(Pmhub):	MS000019261

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