Mol:FL5FALNS0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -2.4197    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2052    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0624    0.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0624    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7769    1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2768    1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6716   -1.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5377   -1.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.5853   -1.4198    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 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
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 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
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 14 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  8 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  3 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
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   -2.2998   -1.0073 
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    0.0044   -0.7319 
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   -2.7769    0.7355 
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    2.0624    1.4197 
S  SKP  8 
ID	FL5FALNS0012 
KNApSAcK_ID	C00004753 
NAME	5-O-Methyloxyayanin-A 
CAS_RN	21722-25-8 
FORMULA	C19H18O8 
EXACTMASS	374.100167552 
AVERAGEMASS	374.34142 
SMILES	c(c(C(O2)=C(C(c(c(OC)3)c2cc(OC)c3)=O)OC)1)(O)cc(OC)c(O)c1 
M  END