Mol:FLII3CNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 25  0  0  0  0  0  0  0  0999 V2000 
   -2.2357    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2357   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6794   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1231   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1231    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6794    0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5668   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0105   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2571    1.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456   -0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1404   -1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7352   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7352   -0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1404   -0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5610   -1.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7920    0.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3883   -1.3128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7920   -0.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3883   -0.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4014    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9649    2.3436    0.0000 C   0  0  0  0  0  0  0  0  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  2  0  0  0  0 
  9  5  1  0  0  0  0 
  8 10  1  0  0  0  0 
 10 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 10  2  0  0  0  0 
  7 16  1  0  0  0  0 
  1  2  1  0  0  0  0 
 17  1  1  0  0  0  0 
 11 16  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 
  6 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   -1.4014    1.4439 
S  SKP  8 
ID	FLII3CNS0001 
KNApSAcK_ID	C00009807 
NAME	Sophorafuran A;2-(2,4-Dihydroxy-3-methoxyphenyl)-5,6-methylenedioxybonzofuran 
CAS_RN	79295-81-1 
FORMULA	C16H12O6 
EXACTMASS	300.063388116 
AVERAGEMASS	300.26288 
SMILES	COc(c(O)4)c(O)c(cc4)c(c1)oc(c2)c(cc(O3)c(OC3)2)1 
M  END