Mol:FL631ANI0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.4081    0.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4081   -0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8696   -0.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3311   -0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3311    0.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8696    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7925   -0.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2540   -0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2540    0.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7925    0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2255    0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7703    0.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3150    0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3150    1.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7703    1.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2255    1.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1679   -0.9784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8592    1.4133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9463    0.5040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8592    0.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8592   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033   -0.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033   -1.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9463   -0.4731    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  1  1  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
  9 11  1  6  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
  8 17  1  1  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
S  SKP  8
ID	FL631ANI0001
KNApSAcK_ID	C00008911
NAME	Broussinol
CAS_RN	90902-19-5
FORMULA	C20H22O4
EXACTMASS	326.151809192
AVERAGEMASS	326.38628
SMILES	c(O)(c3)ccc(c31)CC(C(c(c2)cc(c(O)c2)CC=C(C)C)O1)O
M  END

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