Mol:FL3FEANS0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.2410    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1284   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1284    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7971    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2410    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9555    1.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9555   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -0.8121    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 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   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1 OCH3
M  SBV   1 22   -4.1245    3.1598
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2 ^OCH3
M  SBV   2 24   -5.4058    2.9240
S  SKP  8
ID	FL3FEANS0006
KNApSAcK_ID	C00003838
NAME	Pectolinarigenin
CAS_RN	520-12-7
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c3)ccc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c(O)1
M  END

</pre>