Mol:FL2FA9NC0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -1.6796   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6796   -0.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233   -1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5670   -0.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5670   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233    0.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107   -1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456   -0.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456   -0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107    0.0283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1017    0.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687   -0.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2357    0.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2357    0.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1017    0.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107   -1.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233   -1.8985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2357    0.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233    0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5672    0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0435    0.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4802    0.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4802    1.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0435    1.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5672    1.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0899    1.8980    0.0000 O   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  1  2  0  0  0  0 
  4  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  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 21  1  0  0  0  0 
 26 27  1  0  0  0  0 
S  SKP  8 
ID	FL2FA9NC0002 
KNApSAcK_ID	C00008179 
NAME	Chamanetin 
CAS_RN	58801-43-7 
FORMULA	C22H18O5 
EXACTMASS	362.115423686 
AVERAGEMASS	362.37532000000004 
SMILES	C(=O)(c12)CC(c(c4)cccc4)Oc1c(Cc(c3)c(ccc3)O)c(cc2O)O 
M  END