Mol:FLID3ANS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -2.2825    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2825    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136   -0.2762    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0573    0.0450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0573    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6078   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5543   -1.4628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4203   -1.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    1.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0117    2.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6398    1.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1399    2.1721    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  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 
  8 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 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 11  2  0  0  0  0 
  7 17  1  0  0  0  0 
  1  2  1  0  0  0  0 
 12 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25   -2.6398    1.3061 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -1.4482    1.5816 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    1.9253   -1.1691 
S  SKP  8 
ID	FLID3ANS0005 
KNApSAcK_ID	C00009625 
NAME	4-Methoxyhomopterocarpin 
CAS_RN	22973-36-0 
FORMULA	C18H18O5 
EXACTMASS	314.115423686 
AVERAGEMASS	314.33252 
SMILES	c(c4OC)(OC)ccc(c41)C(O3)C(c(c32)ccc(OC)c2)CO1 
M  END