Mol:FLID2ANS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 26  0  0  0  0  0  0  0  0999 V2000 
   -1.9383    0.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0499    0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5578   -0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9542   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8426    0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3347    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4621   -0.4378    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.1415   -0.2182    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.2531    0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2390    0.8274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6334   -0.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5142   -1.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0403   -1.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6857   -1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8050   -0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2788   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5756   -1.1149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1827    1.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5248    2.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4518   -2.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2178   -2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6900    0.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1595   -0.1333    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 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  2 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   -2.8184    0.2742 
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    2.1039   -1.0314 
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   -2.4612    1.4439 
S  SKP  8 
ID	FLID2ANS0003 
KNApSAcK_ID	C00009622 
NAME	2-Methoxyhomopterocarpin 
CAS_RN	56782-49-1 
FORMULA	C18H18O5 
EXACTMASS	314.115423686 
AVERAGEMASS	314.33252 
SMILES	c(c4OC)c(c1cc4OC)C(O3)C(c(c32)ccc(OC)c2)CO1 
M  END