Mol:FLNABENS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.1431    1.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5868    1.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0307    1.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0307    0.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5461    0.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1228    0.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1228    1.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5461    1.9232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1431    0.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5868    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5461   -0.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -0.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5461   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990   -1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990   -0.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6992    1.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6992    1.9111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515   -1.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0258    0.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3114    0.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1079   -1.5107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8223   -1.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 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   -5.6394    5.1317
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   -5.6385    5.1372
S  SKP  8
ID	FLNABENS0001
KNApSAcK_ID	C00010243
NAME	7,3'-Dihydroxy-5,4'-dimethoxy-4-phenylcoumarin
CAS_RN	91780-05-1
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c3)c(O)cc(c3)C(=C1)c(c(OC)2)c(cc(O)c2)OC(=O)1
M  END

</pre>