Mol:FL6F1LNM0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -2.1833   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1833   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6270   -1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0707   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0707   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6270    0.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5144   -1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0419   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0419   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5144    0.1514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5980    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1650   -0.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7319    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7319    0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1650    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5980    0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7394    0.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3546   -0.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7394    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3546    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0312    1.1332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7394   -1.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6270    0.7935    0.0000 C   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  6  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 
  1 17  1  0  0  0  0 
 13 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 14  1  0  0  0  0 
 16 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
  6 23  1  0  0  0  0 
S  SKP  8 
ID	FL6F1LNM0001 
KNApSAcK_ID	C00008775 
NAME	7,2'-Dihydroxy-6,8-dimethyl-4',5'-methylenedioxyflavan 
CAS_RN	75679-59-3 
FORMULA	C18H18O5 
EXACTMASS	314.115423686 
AVERAGEMASS	314.33252 
SMILES	O(C(c(c(O)4)cc(c3c4)OCO3)2)c(c(C)1)c(CC2)cc(C)c1O 
M  END