Mol:FL1AUNNF0002

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FL1AUNNF0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 29  0  0  0  0  0  0  0  0999 V2000 
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    2.1501    0.7403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2043    1.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7305    1.4671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0243   -1.4671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8089   -1.2122    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 
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  7 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  28 
M  SMT   1 OCH3 
M  SBV   1 28   -4.8804    4.1219 
S  SKP  8 
ID	FL1AUNNF0002 
KNApSAcK_ID	C00008040 
NAME	Derriobtusone B 
CAS_RN	61755-73-5 
FORMULA	C19H12O6 
EXACTMASS	336.063388116 
AVERAGEMASS	336.29498 
SMILES	c(c51)(OCO5)ccc(C(c(o4)c(c(c43)ccc(c32)occ2)OC)=O)c1 
M  END
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