RefMet Compound Details

Created with Raphaƫl 2.1.0OOOHOHOH
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0009829
RefMet nameDehydrorabelomycin
Systematic name1,6,8-trihydroxy-3-methylbenzo[a]anthracene-7,12-dione
SynonymsPubChem Synonyms
Exact mass320.068473 (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
FormulaC19H12O5View other entries in RefMet with this formula
Molecular descriptors
Molfile54403 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C19H12O5/c1-8-5-9-7-13(22)16-17(14(9)12(21)6-8)18(23)10-3-2-4-11(20)15(10)19(16)24/h2-7,20-22H,1H3
InChIKeyPQVIKROZFPIERS-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCc1cc2cc(c3c(c2c(c1)O)C(=O)c1cccc(c1C3=O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPolyketides
Main ClassAngucyclines
Sub ClassAngucyclines
Distribution of Dehydrorabelomycin in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Dehydrorabelomycin
External Links
Pubchem CID443801
ChEBI ID31461
KEGG IDC12390
MetaCyc IDCPD-12952
NPAtlas DBNP020329
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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