Mol:FL3FAACS0082

<pre>

Copyright: ARM project http://www.metabolome.jp/
 55 60  0  0  0  0  0  0  0  0999 V2000
    4.7093    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9948    1.0672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2804    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2804   -0.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9948   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7093   -0.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5659    1.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8514    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8514   -0.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5659   -0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9948   -1.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5107    1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9396    1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9396    1.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252    2.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5107    1.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6231    2.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5659   -1.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1610    1.0533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8880    0.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4754   -0.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3229   -0.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164   -0.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038    0.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0945   -0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2515    0.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3712   -0.3396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9241   -0.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -1.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7124    0.7688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0215    0.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4651    0.7766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8454    0.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2574   -0.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0812   -0.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4937    0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3187    0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7312   -0.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3187   -1.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4937   -1.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5551   -0.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8969    0.7994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6231    0.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3400   -1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9274   -1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1291   -1.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356   -1.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7482   -1.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5466   -1.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7035   -0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1834   -0.5732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8232   -1.6926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3761   -1.6650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005   -2.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  2  0  0  0  0
  1 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
 15 18  1  0  0  0  0
 10 19  1  0  0  0  0
  8 20  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 26  1  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 27 31  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 24  9  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 36  1  0  0  0  0
 39 42  1  0  0  0  0
 38 43  1  0  0  0  0
 43 44  1  0  0  0  0
 45 46  1  1  0  0  0
 46 47  1  1  0  0  0
 48 47  1  1  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 45  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 45 53  1  0  0  0  0
 46 54  1  0  0  0  0
 47 55  1  0  0  0  0
 48 30  1  0  0  0  0
 32 52  1  0  0  0  0
S  SKP  8
ID	FL3FAACS0082
KNApSAcK_ID	C00014082
NAME	Isovitexin 2''-O-(6'''-feruloyl)glucoside
CAS_RN	220948-77-6
FORMULA	C37H38O18
EXACTMASS	770.205814412
AVERAGEMASS	770.6868199999999
SMILES	C(=CC(=O)OCC(O2)C(O)C(O)C(C2OC(C6O)C(OC(CO)C(O)6)c(c3O)c(O)cc(O4)c(C(=O)C=C(c(c5)ccc(O)c5)4)3)O)c(c1)ccc(O)c1OC
M  END

</pre>