Mol:FL2FA9NP0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -1.2712   -0.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7503   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2294   -0.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2294    0.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7503    0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2712    0.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2915   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8124   -0.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8124    0.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2915    0.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3328    0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2915   -1.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8671    0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4015    0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4015    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8671    1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3328    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7920    0.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7503    0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2712    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7920    0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3220    1.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4015    0.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7503   -1.4676    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 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
 11 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 11  1  0  0  0  0 
  6 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 18  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
  2 24  1  0  0  0  0 
S  SKP  8 
ID	FL2FA9NP0003 
KNApSAcK_ID	C00008431 
NAME	Obovatin 
CAS_RN	69640-77-3 
FORMULA	C20H18O4 
EXACTMASS	322.120509064 
AVERAGEMASS	322.35452 
SMILES	C(=O)(C1)c(c(O)3)c(c(C=4)c(OC(C4)(C)C)c3)OC1c(c2)cccc2 
M  END