Mol:FL1CHYNP0008

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Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
    0.3036    0.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3036   -0.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8599   -0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4162   -0.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4162    0.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8599    0.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9534   -0.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3971   -0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5095   -0.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0704   -0.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5095   -1.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0704    0.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231    0.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1757    0.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1757   -0.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231   -0.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9723   -0.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9723    0.7978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284   -0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284    0.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9040    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1757    0.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8233   -0.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1088   -1.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4234   -0.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379   -1.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0537    1.0955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5538    1.9615    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
  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
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 18  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
  3 25  1  0  0  0  0
 25 26  1  0  0  0  0
  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  27  28
M  SBL   3  1  29
M  SMT   3  OCH3
M  SVB   3 29   -0.0537    1.0955
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  25  26
M  SBL   2  1  27
M  SMT   2  OCH3
M  SVB   2 27    0.4234   -0.6473
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25   -0.8233   -0.6532
S  SKP  8
ID	FL1CHYNP0008
KNApSAcK_ID	C00007090
NAME	Praecanson A
CAS_RN	74517-76-3
FORMULA	C23H24O5
EXACTMASS	380.162373878
AVERAGEMASS	380.43366000000003
SMILES	c(c3OC)(c(OC)cc(c32)OC(C=C2)(C)C)C(OC)=CC(c(c1)cccc1)=O
M  END

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