CDK     1029232201

 33 34  0  0  0  0  0  0  0  0999 V2000
    7.8592   -1.6500    0.0000 O   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
    6.4302   -1.6500    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
    5.7158   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.0000    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
    5.0013   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.8250    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
    7.1447    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    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
    7.1447    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.0625    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
   10.0026    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    2.4750    0.0000 C   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
   10.0026    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    3.3000    0.0000 O   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
   10.7171    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    1.2375    0.0000 O   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
    1.4290   -0.4125    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
    0.0000   -0.4125    0.0000 C   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  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 11  2  0  0  0  0 
  7 12  1  0  0  0  0 
 10 13  2  0  0  0  0 
 10 14  1  0  0  0  0 
 12 15  1  0  0  0  0 
 13 16  1  0  0  0  0 
 14 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 18 22  1  0  0  0  0 
 19 23  2  3  0  0  0 
 20 24  1  0  0  0  0 
 20 25  1  0  0  0  0 
 22 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 27 30  2  3  0  0  0 
 30 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 11 13  1  0  0  0  0 
 22 24  1  0  0  0  0 
M  END
> <ID>
CHEBI:202401

> <NAME>
Carnemycin A

> <STAR>
2

> <IUPAC_NAME>
ethyl 2,4-dihydroxy-6-nona-3,5-dienyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate

> <FORMULA>
C24H34O9

> <MASS>
466.527

> <MONOISOTOPIC_MASS>
466.22028

> <CHARGE>
0

> <SMILES>
O=C(OCC)C1=C(O)C(=C(O)C=C1CCC=CC=CCCC)C2OC(C(O)C(C2O)O)CO

> <INCHI>
InChI=1S/C24H34O9/c1-3-5-6-7-8-9-10-11-14-12-15(26)18(20(28)17(14)24(31)32-4-2)23-22(30)21(29)19(27)16(13-25)33-23/h6-9,12,16,19,21-23,25-30H,3-5,10-11,13H2,1-2H3

> <INCHIKEY>
HOXLOTVPTXYADA-UHFFFAOYSA-N

$$$$