RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0139130
RefMet nameCarminomycin
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
SynonymsPubChem Synonyms
Exact mass513.163499 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC26H27NO10View other entries in RefMet with this formula
Molecular descriptors
Molfile69900 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24
(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/t9-,13-,15-,16-,21+,26-/m0/s1
InChIKeyXREUEWVEMYWFFA-CSKJXFQVSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[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
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPolyketides
Main ClassAromatic polyketides
Sub ClassAnthracyclines
Distribution of Carminomycin in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Carminomycin
External Links
Pubchem CID443831
ChEBI ID31359
KEGG IDC12432
EPA CompToxDTXCID70209205
Spectral data for Carminomycin standards
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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