Mol:FLIF1LNP0001

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Copyright: ARM project http://www.metabolome.jp/
 31 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  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
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  7 17  2  0  0  0  0
  8 18  1  1  0  0  0
  6 19  1  0  0  0  0
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 22  1  1  0  0  0  0
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 21 24  1  0  0  0  0
 12 25  1  0  0  0  0
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 26  9  1  0  0  0  0
  9 27  1  1  0  0  0
 14 28  1  0  0  0  0
 28 29  1  0  0  0  0
 15 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  30  31
M  SBL   2  1  34
M  SMT   2  OCH3
M  SVB   2 34    1.8364   -1.1145
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  28  29
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32    0.7806   -1.3116
S  SKP  8
ID	FLIF1LNP0001
KNApSAcK_ID	C00002522
NAME	(-)-cis-Deguelin
CAS_RN	522-17-8
FORMULA	C23H22O6
EXACTMASS	394.141638436
AVERAGEMASS	394.41718000000003
SMILES	c(c5)([C@@]14[H])c(cc(c5OC)OC)OC[C@]1(Oc(c3C4=O)c(C=2)c(cc3)OC(C2)(C)C)[H]
M  END

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