Mol:FL3FACGS0077

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 47  0  0  0  0  0  0  0  0999 V2000
   -0.1075    0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1075   -0.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070   -1.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3214   -0.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3214    0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070    0.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359   -1.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7504   -0.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7504    0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359    0.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648    0.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8938    0.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8938    1.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    1.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4648    1.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359   -1.8398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8271    0.5697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070   -1.8727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167    1.8198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5996    0.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3503    0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9377   -0.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1393    0.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3459   -0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7584    0.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5568    0.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138    0.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1936    1.1533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8335    0.0339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3863    0.0615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3108   -0.6283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1164   -0.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7037   -1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9054   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119   -1.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5245   -0.6393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3229   -0.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4798   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9597    0.0144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5996   -1.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1524   -1.0774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0769   -1.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  2  0  0  0  0
  6  1  1  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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 18  1  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
 13 21  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  1  0  0  0
 36 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 33 41  1  0  0  0  0
 34 42  1  0  0  0  0
 35 43  1  0  0  0  0
 36 32  1  0  0  0  0
 25 18  1  0  0  0  0
S  SKP  8
ID	FL3FACGS0077
KNApSAcK_ID	C00013662
NAME	Luteolin 7-sophoroside;Luteolin 7-O-(beta-D-glucopyranosyl-2-glucopyranoside);2-(3,4-Dihydroxyphenyl)-7-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one
CAS_RN	52146-61-9
FORMULA	C27H30O16
EXACTMASS	610.153384912
AVERAGEMASS	610.5175
SMILES	c(C(=O)5)(c1OC(=C5)c(c4)cc(c(c4)O)O)c(O)cc(OC(O3)C(C(O)C(C3CO)O)OC(O2)C(C(O)C(C2CO)O)O)c1
M  END

</pre>