Mol:PR101003

 
 
 
 24 24  0  0  1  0  0  0  0  0999 V2000 
   23.8000  -20.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.8000  -21.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.0124  -22.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.2249  -21.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.2249  -20.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.0124  -19.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.4560  -19.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   27.4560  -18.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.4560  -22.6210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.0124  -24.0098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   23.7832  -24.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.5876  -19.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.3921  -20.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.2047  -19.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.0135  -20.5029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   20.2045  -18.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8240  -19.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.6339  -20.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8238  -18.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.6309  -17.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.0558  -17.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   16.6339  -21.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.4385  -22.5940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8687  -22.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0     0  0 
  2  3  1  0     0  0 
  3  4  2  0     0  0 
  4  5  1  0     0  0 
  5  6  2  0     0  0 
  1  6  1  0     0  0 
  5  7  1  0     0  0 
  7  8  1  0     0  0 
  4  9  1  0     0  0 
  3 10  1  0     0  0 
 10 11  1  0     0  0 
  1 12  1  0     0  0 
 12 13  2  0     0  0 
 13 14  1  0     0  0 
 14 15  1  0     0  0 
 14 16  2  0     0  0 
 17 15  1  1     0  0 
 17 18  1  0     0  0 
 17 19  1  0     0  0 
 19 20  2  0     0  0 
 19 21  1  0     0  0 
 18 22  1  0     0  0 
 22 23  1  0     0  0 
 22 24  2  0     0  0 
S  SKP  7 
CAS_RN	92344-58-6 
NAME	Sinapoyl malate 
ID	PR101003 
FORMULA	C15H16O9 
EXACTMASS	340.07943210999997 
AVERAGEMASS	340.28214 
SMILES	OC(=O)CC(C(O)=O)OC(=O)C=Cc(c1)cc(OC)c(O)c(OC)1 
M  END