Mol:FLIBALNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.7681    0.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7681   -0.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2676   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672   -0.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672    0.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2676    0.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2337   -0.0520    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2337    0.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667    0.8148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8401   -1.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339   -0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339   -0.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980   -1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980   -0.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1253   -1.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2676   -0.9184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1321   -1.3768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9981   -1.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253    1.1446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6253    2.0106    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  1  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
  8 12  1  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 17  1  0  0  0  0
 17 12  2  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
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  SVB   2 24   -2.1253    1.1446
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  SVB   1 22    0.4788   -0.9456
S  SKP  8
ID	FLIBALNS0001
KNApSAcK_ID	C00002513
NAME	Cajanol
CAS_RN	61020-70-0
FORMULA	C17H16O6
EXACTMASS	316.094688244
AVERAGEMASS	316.30534
SMILES	COc(c3)cc(O2)c(c(O)3)C(=O)C(C2)c(c1)c(OC)cc(O)c1
M  END

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