Mol:FLID3ANS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 24  0  0  0  0  0  0  0  0999 V2000
   -2.1830    0.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267   -0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    0.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141   -0.3107    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0422    0.0105    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0422    0.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    0.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983   -0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -1.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.9972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7393    0.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    1.6161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539   -1.4974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.9974    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0
  1  2  1  0  0  0  0
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
  6 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23    2.0248   -1.2036
S  SKP  8
ID	FLID3ANS0003
KNApSAcK_ID	C00009615
NAME	4-Hydroxymedicarpin
CAS_RN	53950-54-2
FORMULA	C16H14O5
EXACTMASS	286.084123558
AVERAGEMASS	286.27936
SMILES	COc(c4)cc(O1)c(c4)C(C3)C1c(c2)c(O3)c(O)c(O)c2
M  END

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