Mol:FL6F1LNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 25  0  0  0  0  0  0  0  0999 V2000 
   -2.2827   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2827   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7264   -1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1701   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1701   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7264    0.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6138   -1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0575   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0575   -0.1698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.6138    0.1514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4986    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0655   -0.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6325    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6325    0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0655    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4986    0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2552   -0.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6400    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2552    1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0682    1.1332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6400    0.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1400    1.3150    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 
 13 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 14  1  0  0  0  0 
 16 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24     -2.64     0.449 
S  SKP  8 
ID	FL6F1LNS0001 
KNApSAcK_ID	C00008774 
NAME	2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan 
CAS_RN	95587-89-6 
FORMULA	C17H16O5 
EXACTMASS	300.099773622 
AVERAGEMASS	300.30593999999996 
SMILES	COc(c4)cc(O1)c(c4)CC[C@H]1c(c2)c(O)cc(O3)c(OC3)2 
M  END