Mol:FLID1ANS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 20 23  0  0  0  0  0  0  0  0999 V2000
   -2.1039    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -0.2761    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1213    0.0451    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1213    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612   -1.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4612    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9612    2.1722    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
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -2.4612    1.3062
S  SKP  8
ID	FLID1ANS0003
KNApSAcK_ID	C00009611
NAME	Isomedicarpin;9-Hydroxy-3-methoxypterocarpan
CAS_RN	74560-05-7
FORMULA	C16H14O4
EXACTMASS	270.089208936
AVERAGEMASS	270.27996
SMILES	COc(c4)cc(O3)c(c4)C(O1)C(C3)c(c2)c(cc(O)c2)1
M  END

</pre>