Mol:FL1CALNI0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 34  0  0  0  0  0  0  0  0999 V2000
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  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
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  5 19  1  0  0  0  0
 15 20  1  0  0  0  0
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  3 30  1  0  0  0  0
 30 31  1  0  0  0  0
 12 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  31
M  SMT   1 OCH3
M  SBV   1 31   -8.9643    2.0468
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  33
M  SMT   2 OCH3
M  SBV   2 33   -7.9754    2.5264
S  SKP  8
ID	FL1CALNI0001
KNApSAcK_ID	C00007139
NAME	Kushenol D
CAS_RN	99217-65-9
FORMULA	C27H32O6
EXACTMASS	452.219888756
AVERAGEMASS	452.53938
SMILES	c(c1)c(C=CC(=O)c(c2O)c(OC)cc(O)c(CC(C(C)=C)CC=C(C)C)2)c(OC)cc1O
M  END

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