Mol:FL7DACGO0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
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   -0.4381   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1182   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6745   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6745   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1182    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2308   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7871   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7871   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2308    0.1452    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    2.3432    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9102   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4772    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4772    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.7557   -0.9868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.0675    0.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3531   -0.0079    0.0000 O   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 
  4  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  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 
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  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
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 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1 ^CH2OH 
M  SBV   1 33   -4.7926    4.5296 
S  SKP  8 
ID	FL7DACGS0002 
KNApSAcK_ID	C00006624 
NAME	Luteolinidin 7-glucoside 
CAS_RN	53948-05-3 
FORMULA	C21H21O10 
EXACTMASS	433.113471892 
AVERAGEMASS	433.38544 
SMILES	c(c4)([o+1]c(c(c4)3)cc(cc3O)OC(O2)C(O)C(O)C(O)C2CO)c(c1)cc(c(O)c1)O 
M  END