Mol:FL7AACGL0124

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 41 46  0  0  0  0  0  0  0  0999 V2000 
   -0.6431    0.8250   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3576    0.4125   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6431    1.6500   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0721    0.8250   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3576   -0.4125   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0714    2.0626   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3576    2.0625   -2.5960 O   0  3  0  0  0  6  0  0  0  0  0  0 
   -2.0721    1.6500   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7866    0.4125   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0721   -0.8250   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0713    2.8875   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7859    1.6500   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7866    2.0625   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7866   -0.4125   -2.5960 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5011    0.8250   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0721   -1.6500   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7859    3.3001   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5003    2.0625   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5010    1.6501   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3575   -2.0626   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7866   -2.0626   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5004    2.8875   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7858    4.1251   -2.5960 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2155    2.0626   -2.5960 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3576   -2.8876   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7866   -2.8876   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2148    3.3000   -2.5960 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0720   -3.3001   -2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0721   -4.1251   -2.5960 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2155   -0.4814   -1.0777 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2289    0.1776   -1.0777 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5529    0.1123    1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6877    0.6948    2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3014    0.0256    2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0443    0.2379    2.5960 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7919    0.0256    2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1784    0.6948    2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4354    0.4825    2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9269    0.6761    2.1664 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7413    1.0124    2.5960 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9723    0.4821    2.5960 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0 
  1  3  1  0 
  2  4  1  0 
  2  5  1  0 
  3  6  1  0 
  3  7  2  0 
  4  8  2  0 
  4  9  1  0 
  5 10  2  0 
  6 11  1  0 
  6 12  2  0 
  7  8  1  0 
  8 13  1  0 
  9 14  1  0 
  9 15  2  0 
 10 14  1  0 
 10 16  1  0 
 11 17  2  0 
 12 18  1  0 
 13 19  2  0 
 15 19  1  0 
 16 20  2  0 
 16 21  1  0 
 17 22  1  0 
 17 23  1  0 
 18 22  2  0 
 19 24  1  0 
 20 25  1  0 
 21 26  2  0 
 22 27  1  0 
 25 28  2  0 
 26 28  1  0 
 28 29  1  0 
 31  1  1  0 
 33 34  1  0 
 34 35  1  1 
 35 36  1  1 
 37 36  1  1 
 37 38  1  0 
 38 33  1  0 
 33 39  1  0 
 38 40  1  0 
 36 32  1  0 
 37 41  1  0 
 31 34  1  0 
 30 32  1  0 
M  CHG  1   7   1 
S  SKP  9 
AUTODRAW	FALSE 
ID	FL7AACGL0124 
KNApSAcK_ID	 
NAME	Pyranocyanin D 
CAS_RN	487021-53-4 
FORMULA	C29H25O12 
EXACTMASS	565.134601264 
AVERAGEMASS	565.5016 
SMILES	c(c(O)5)c(c42)[o+1]c(c(OC(O6)C(O)C(O)C(O)C(CO)6)c2C=C(Oc4c5)c(c3)ccc(c3)O)c(c1)cc(O)c(O)c1 
M  END