Mol:FL64A9NF0001

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FL64A9NF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
   -1.3687   -0.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3687   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8124   -1.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2561   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2561   -0.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8124    0.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3002   -1.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8565   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8565   -0.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3002    0.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4126    0.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9796   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5466    0.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5466    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9796    1.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4126    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3002   -1.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9459    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5848    0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8460    0.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9058    1.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5466    1.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5855    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2488   -1.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5343   -1.7976    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  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  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 
  7 17  1  1  0  0  0 
  6 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20  1  1  0  0  0  0 
 19 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  2  0  0  0  0 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  27 
M  SMT   1 OCH3 
M  SBV   1 27   -8.5660    3.8066 
S  SKP  8 
ID	FL64A9NF0001 
KNApSAcK_ID	C00008984 
NAME	Hildgardtol A 
CAS_RN	104799-50-0 
FORMULA	C21H22O4 
EXACTMASS	338.151809192 
AVERAGEMASS	338.39698 
SMILES	O(C3c(c4)cccc4)c(c12)c(C(O)C3)c(cc1OC(C2)C(C)=C)OC 
M  END
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