Metabolomics Structure Database

 
MW REGNO: 69900
Common Name:Carminomycin
Systematic Name:(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
RefMet Name:Carminomycin
Synonyms:Carubicin; NCGC00159344-02; DSSTox_CID_2742; DSSTox_RID_76711; DSSTox_GSID_22742 [PubChem Synonyms]
Exact Mass:
513.1635 (neutral)    Calculate m/z:
Formula:C26H27NO10
InChIKey:XREUEWVEMYWFFA-CSKJXFQVSA-N
LIPID MAPS Category:Polyketides
LIPID MAPS mainclass:Aromatic polyketides
LIPID MAPS subclass:Anthracyclines
Massbank MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]1C[C@@](Cc2c1c(c1c(C(=O)c3cccc(c3C1=O)O)c2O)O)(C(=O)C)O)N)O
Studies:Available studies (via RefMet name)

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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

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