Mol:FL3FAEGS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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   -3.3828   -0.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9317   -0.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4806   -0.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4806    0.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9317    0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0296   -0.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5785   -0.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5785    0.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0296    0.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0296   -1.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1276    0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6679    0.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2082    0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2082    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6679    1.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1276    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.5096    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1219   -0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8674   -0.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6174   -0.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0051    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2596    0.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7896    0.2282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.5644    0.0982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3350    0.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1295   -0.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8440   -0.6361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2515    1.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9660    0.7663    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 
 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 
  3 18  1  0  0  0  0 
 19  1  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 14 29  1  0  0  0  0 
 21 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 15 32  1  0  0  0  0 
 32 33  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   -6.1622    3.9541 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2 OCH3 
M  SBV   2 35   -6.2148    4.1927 
S  SKP  8 
ID	FL3FAEGS0010 
KNApSAcK_ID	C00004507 
NAME	Diosmetin 3'-glucoside 
CAS_RN	141360-86-3 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	OC(C1O)C(Oc(c(OC)4)cc(cc4)C(O3)=CC(c(c32)c(O)cc(O)c2)=O)OC(CO)C1O 
M  END