Mol:FL2FABNM0001

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FL2FABNM0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.3025    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3025   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7462   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1899   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1899    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7462    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6336   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0773   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0773    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6336    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4788    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0458    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6128    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6128    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0458    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4788    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6336   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8941    0.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7462   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8586   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7462    1.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1796    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8941    1.0418    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  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 
  7 17  2  0  0  0  0 
 18  1  1  0  0  0  0 
  3 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 14 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  SBV   1 24   -8.4347    4.1498 
S  SKP  8 
ID	FL2FABNM0001 
KNApSAcK_ID	C00008243 
NAME	Matteucinol 
CAS_RN	489-38-3 
FORMULA	C18H18O5 
EXACTMASS	314.115423686 
AVERAGEMASS	314.33252 
SMILES	c(C(O2)CC(c(c3O)c2c(c(c3C)O)C)=O)(c1)ccc(OC)c1 
M  END
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