Mol:FLIF1LNI0002

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Copyright: ARM project http://www.metabolome.jp/
 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.2234    0.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2234   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671   -0.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1107   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1107    0.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671    0.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5544   -0.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0019   -0.4763    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0019    0.1661    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5544    0.4873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5580   -0.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5580   -1.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1527   -1.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7475   -1.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7475   -0.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1527   -0.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5544   -1.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1798    0.1661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    0.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6990    0.4407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671    1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110    1.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110    2.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5560    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7354   -1.9991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4498   -2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7475   -1.4841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7475   -1.4841    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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
 20  1  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 14 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  28  29
M  SBL   2  1  31
M  SMT   2  OCH3
M  SVB   2 31    1.9845   -1.6904
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  29
M  SMT   1  OCH3
M  SVB   1 29    0.7354   -1.9991
S  SKP  8
ID	FLIF1LNI0002
KNApSAcK_ID	C00009574
NAME	Rotenonic acid
CAS_RN	70191-71-8
FORMULA	C23H24O6
EXACTMASS	396.1572885
AVERAGEMASS	396.43306
SMILES	c(c41)c(c(OC)cc(OCC(C24)Oc(c3CC=C(C)C)c(ccc3O)C2=O)1)OC
M  END

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