Mol:FLNADBNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.2425    1.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862    1.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1301    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1301    0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466    0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0234    0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0234    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466    1.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2423    0.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862    0.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063   -1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9996   -1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9996   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5997    1.7801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5997    2.0660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0996    2.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1259    0.3195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4114   -0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0084   -1.6535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7229   -2.0660    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
 18 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   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24    0.0084   -1.6535
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22   -1.1259    0.3195
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20   -1.5997     2.066
S  SKP  8
ID	FLNADBNS0001
KNApSAcK_ID	C00010201
NAME	5,7,4'-Trimethoxy-4-phenylcoumarin
CAS_RN	74512-60-0
FORMULA	C18H16O5
EXACTMASS	312.099773622
AVERAGEMASS	312.31664
SMILES	c(C(c32)=CC(=O)Oc2cc(OC)cc3OC)(c1)ccc(OC)c1
M  END

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