Mol:FL5FAHGS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
   -3.6663   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6663   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9973   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9973    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9973   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8849    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3180   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2490    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2490    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3180    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8849    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1100   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8850   -1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0427    1.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2772    0.0617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8158   -0.1430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3756    0.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0802   -0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6482   -0.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2197   -0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5151    0.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9471   -0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8269   -0.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1810    0.3881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9414   -0.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5627   -0.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2772   -0.7521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0346    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6799    1.3299    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
  8 19  1  0  0  0  0
 20 15  1  0  0  0  0
  1 21  1  0  0  0  0
 14 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  1  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 22 24  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
 16 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  35
M  SMT   1 CH2OH
M  SBV   1 35   -7.4029    4.1387
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  34  35
M  SBL   2  1  37
M  SMT   2 OCH3
M  SBV   2 37   -7.4625    4.6881
S  SKP  8
ID	FL5FAHGS0003
KNApSAcK_ID	C00005764
NAME	Laricitrin 5'-glucoside
CAS_RN	123442-26-2
FORMULA	C22H22O13
EXACTMASS	494.10604078999995
AVERAGEMASS	494.40228
SMILES	OC(C1O)C(Oc(c4O)cc(cc4OC)C(=C2O)Oc(c3)c(c(O)cc3O)C2=O)OC(CO)C1O
M  END

</pre>