Mol:FL6F1GGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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   -0.7127    0.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.1904    1.5715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.8534    0.9688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5679    0.5563    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 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  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 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 20 11  1  0  0  0  0 
 16 28  1  0  0  0  0 
 14 11  1  0  0  0  0 
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 29 30  1  0  0  0  0 
 15 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1 CH2OH 
M  SBV   1 32   -8.9250    6.0432 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  34 
M  SMT   2 OCH3 
M  SBV   2 34   -8.7376    6.4604 
S  SKP  8 
ID	FL6F1GGS0001 
KNApSAcK_ID	C00008764 
NAME	Auriculoside 
CAS_RN	75871-96-4 
FORMULA	C22H26O10 
EXACTMASS	450.152597052 
AVERAGEMASS	450.43584 
SMILES	OC(C1O)C(Oc(c2)c(OC)c(cc(C(C4)Oc(c(C4)3)cc(O)cc3)2)O)OC(CO)C1O 
M  END