Mol:FL1C1ANI0010

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 27  0  0  0  0  0  0  0  0999 V2000
    0.8236   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236   -0.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799   -1.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9362   -0.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9362   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799    0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4334   -0.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1229   -1.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9895   -1.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5504   -0.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9895   -1.9225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5504   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1030    0.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6557   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6557   -0.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1030   -1.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1030   -1.9054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1030    0.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6557    0.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6557    1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070    1.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1043    1.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4925    0.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070   -0.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0129    0.3087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5129    1.1747    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
 17 16  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5 23  1  0  0  0  0
 23 24  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  25  26
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26   -3.0129    0.3087
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24    2.4925    0.0028
S  SKP  8
ID	FL1C1ANI0010
KNApSAcK_ID	C00007071
NAME	4'-O-Methylbavachalcone
CAS_RN	41682-53-5
FORMULA	C22H24O4
EXACTMASS	352.167459256
AVERAGEMASS	352.42356
SMILES	C(=O)(C=Cc(c2)ccc(c2)OC)c(c1)c(cc(OC)c1CC=C(C)C)O
M  END

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