RefMet Compound Details

RefMet IDRM0108866
MW structure68174 (View MW Metabolite Database details)
RefMet nameTetracenomycin X
Systematic namemethyl (6aR,7S,10aR)-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
SMILESCc1c2c(cc3c(c2O)C(=O)[C@@]2(C(=O)C=C([C@H]([C@@]2(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass486.116215 (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
FormulaC24H22O11View other entries in RefMet with this formula
InChIInChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-
8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1
InChIKeyQSPIPUXWSNFXCK-AGILITTLSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassNaphthacenes
Sub ClassTetracenequinones
Pubchem CID129395
ChEBI ID32209
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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