Mol:FL2FADNS0001

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FL2FADNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.9505    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9505   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9496   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4491   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0513   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0513    0.1323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4491    0.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5514    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0658    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5801    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5801    1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0658    1.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5514    1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0513    0.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4506    0.4211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0934    1.3113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500   -1.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4491   -1.1877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461   -0.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3122   -0.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  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
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 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 11  1  0  0  0  0
  9 17  1  1  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  7 21  2  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24    1.7361    0.2148
S  SKP  8
ID	FL2FADNS0001
KNApSAcK_ID	C00000969
NAME	Homoeriodictyol
CAS_RN	446-71-9
FORMULA	C16H14O6
EXACTMASS	302.07903818
AVERAGEMASS	302.27876000000003
SMILES	COc(c(O)3)cc(cc3)[C@]([H])(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
M  END

</pre>

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