Mol:FL1C1LNP0002

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Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
    1.4644    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4644   -0.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207   -0.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -0.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207    0.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075   -0.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7638   -0.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3486   -0.6084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9096   -0.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3486   -1.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9096    0.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4622   -0.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4622   -1.2319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5675    0.6824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1201    0.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1201   -0.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5675   -0.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3069    1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8476    0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5843   -0.7691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988   -1.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4431    0.8550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4431    0.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988    1.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7354    2.1488    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
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  5 26  1  0  0  0  0
 26 27  1  0  0  0  0
  6 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  28  29
M  SBL   3  1  30
M  SMT   3  OCH3
M  SVB   3 30    2.2988    1.2492
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  26  27
M  SBL   2  1  28
M  SMT   2  OCH3
M  SVB   2 28    3.1331     0.676
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  26
M  SMT   1  OCH3
M  SVB   1 26    1.5843   -0.7691
S  SKP  8
ID	FL1C1LNP0002
KNApSAcK_ID	C00007109
NAME	Glabrachalcone
CAS_RN	87457-88-3
FORMULA	C23H24O6
EXACTMASS	396.1572885
AVERAGEMASS	396.43306
SMILES	C(C(c(c(O)3)ccc(c32)OC(C=C2)(C)C)=O)=Cc(c(OC)1)cc(OC)c(OC)c1
M  END

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