Marvin  02240912252D          

 16 15  0  0  0  0            999 V2000
   -4.8027    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0882    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3737    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6593    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2303    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5159    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1986    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9131    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5171    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0882    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5159    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0565    1.4437    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  1 12  2  0  0  0  0
  2 13  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  RGP  1  16   1
M  END
> <ID>
CHEBI:51972

> <NAME>
12'-apo-carotenal

> <STAR>
3

> <SECONDARY_ID>
CHEBI:58873

> <SYNONYM>
a 12'-apo-carotenal; a 12'-apo-carotenal

> <FORMULA>
C14H17OR

> <MASS>
201.28420

> <MONOISOTOPIC_MASS>
201.12794

> <CHARGE>
0

> <SMILES>
C\C([*])=C/C=C/C(C)=C/C=C/C=C(\C)C=O

$$$$