Mol:FL1CECNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.4502    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4502   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8939   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3376   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.8872   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.0092   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0092    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4482    0.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8872    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.0061    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6253    0.5268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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 15 10  1  0  0  0  0 
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  6 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  5 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  22  23 
M  SBL   1  1  24 
M  SMT   1 ^OCH3 
M  SBV   1 24   -6.6319    4.1824 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2 OCH3 
M  SBV   2 26   -5.5200    3.9216 
S  SKP  8 
ID	FL1CECNS0002 
KNApSAcK_ID	C00007030 
NAME	Agestricin A 
CAS_RN	85563-73-1 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(c3O)(OC)cc(c(c3OC)C(=O)C=Cc(c1)cc(O2)c(OC2)c1)O 
M  END