CDK     1030232200

 35 39  0  0  0  0  0  0  0  0999 V2000
    3.5724    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  2  0  0  0  0 
  3  6  1  0  0  0  0 
  4  7  2  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  6 12  2  0  0  0  0 
  7 13  1  0  0  0  0 
  8 14  2  0  0  0  0 
 10 15  2  0  0  0  0 
 10 16  1  0  0  0  0 
 11 17  2  0  0  0  0 
 13 18  1  0  0  0  0 
 13 19  2  0  0  0  0 
 14 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
 20 23  1  0  0  0  0 
 20 24  1  0  0  0  0 
 22 25  2  0  0  0  0 
 22 26  1  0  0  0  0 
 24 27  1  0  0  0  0 
 25 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 26 30  2  0  0  0  0 
 29 31  2  0  0  0  0 
 29 32  1  0  0  0  0 
 31 33  1  0  0  0  0 
 32 34  2  0  0  0  0 
 32 35  1  0  0  0  0 
  7 11  1  0  0  0  0 
 12 15  1  0  0  0  0 
 14 19  1  0  0  0  0 
 24 26  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  END
> <ID>
CHEBI:206021

> <NAME>
Antibiotic R2

> <STAR>
2

> <IUPAC_NAME>
10-ethyl-1,5,6,9,14-pentahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid

> <FORMULA>
C26H20O9

> <MASS>
476.437

> <MONOISOTOPIC_MASS>
476.11073

> <CHARGE>
0

> <SMILES>
O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C4C(O)C(O)C=5C(C4=C3O)=C(O)C(=C(C)C5)C(=O)O)CC

> <INCHI>
InChI=1S/C26H20O9/c1-3-9-4-5-10-17(19(9)27)21(29)13-7-12-16(25(33)18(13)20(10)28)15-11(22(30)23(12)31)6-8(2)14(24(15)32)26(34)35/h4-7,22-23,27,30-33H,3H2,1-2H3,(H,34,35)

> <INCHIKEY>
GATBAPGKSGYXAR-UHFFFAOYSA-N

$$$$