Mol:FL1CBCNP0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 31  0  0  0  0  0  0  0  0999 V2000 
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   -1.8706   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3143   -0.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7580   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7580    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3143    0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2017   -0.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3546   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9107   -0.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4668   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0278   -0.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5888   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5888    0.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0278    0.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4668    0.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2017   -0.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3143   -1.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2049   -0.3436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5857    0.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2049    0.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4269    0.8201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.9832   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.3341    1.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5857    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2019    0.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5126    0.4075    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 
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  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
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  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
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 22 26  1  0  0  0  0 
  5 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  30 
M  SMT   1 OCH3 
M  SBV   1 30   -4.9404    4.0994 
S  SKP  8 
ID	FL1CBCNP0001 
KNApSAcK_ID	C00007036 
NAME	Glabrachromene I 
CAS_RN	40958-05-2 
FORMULA	C22H20O6 
EXACTMASS	380.125988372 
AVERAGEMASS	380.3906 
SMILES	C(O1)(C=Cc(c2O)c1cc(OC)c(C(C=Cc(c4)ccc(c43)OCO3)=O)2)(C)C 
M  END