Mol:FL3FELNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
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   -0.5721   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.0158   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  2  0  0  0  0 
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M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  28  29 
M  SBL   5  1  30 
M  SMT   5  OCH3 
M  SVB   5 30   -2.9555   -0.7269 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  26  27 
M  SBL   4  1  28 
M  SMT   4  OCH3 
M  SVB   4 28   -2.5983    0.4428 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26     2.241     1.127 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24    1.8838   -0.0612 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22     0.183    1.4185 
S  SKP  8 
ID	FL3FELNS0005 
KNApSAcK_ID	C00003978 
NAME	Psiadiarabicin 
CAS_RN	111950-81-3 
FORMULA	C20H20O9 
EXACTMASS	404.11073223799997 
AVERAGEMASS	404.3674 
SMILES	COc(c3OC)cc(c2c3O)OC(=CC(=O)2)c(c1OC)cc(c(c1O)OC)OC 
M  END