Mol:FL6FWXNF0001

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FL6FWXNF0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.3687   -0.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3687   -0.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8124   -1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2561   -0.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8124    0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3002   -1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8565   -0.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8565   -0.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3002    0.0330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4126    0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796   -0.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9796    1.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4126    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9459    0.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5848    0.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8460    0.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9058    1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5939    1.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5466    1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2488   -1.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5343   -1.8248    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  2  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  6  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
  6 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  1  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  26
M  SMT   1 OCH3
M  SBV   1 26   -7.2253    5.2437
S  SKP  8
ID	FL6FWXNF0001
KNApSAcK_ID	C00008793
NAME	Hildgardtene
CAS_RN	104777-96-0
FORMULA	C21H20O3
EXACTMASS	320.141244506
AVERAGEMASS	320.38169999999997
SMILES	C(C=3)(c(c4)cccc4)Oc(c2C3)c(c1cc2OC)CC(O1)C(C)=C
M  END

</pre>

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