Mol:FL5FAANSS004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 35  0  0  0  0  0  0  0  0999 V2000
   -2.0392   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0392   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4829   -1.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9266   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9266   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4829    0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -1.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1860   -0.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1860   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703    0.2212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -1.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091   -0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8760    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8760    0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091    1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421    0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421   -1.0634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4829   -1.7056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428    1.2030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7129    0.2360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1323    0.2360    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1323    0.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1323   -0.3078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5542    0.2360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3227   -1.0428    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3227   -0.5533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3227   -1.5865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9008   -1.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    1.2161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    1.7056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1348    0.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7129    1.2161    0.0000 O   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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25  1  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 18 26  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 20 30  1  0  0  0  0
S  SKP  8
ID	FL5FAANSS004
KNApSAcK_ID	C00004948
NAME	Kaempferol 3,7,4'-tri-O-sulfate
CAS_RN	79174-98-4
FORMULA	C15H10O15S3
EXACTMASS	525.91818172
AVERAGEMASS	526.4289
SMILES	Oc(c3)c(c(cc3OS(O)(=O)=O)2)C(=O)C(OS(O)(=O)=O)=C(O2)c(c1)ccc(c1)OS(O)(=O)=O
M  END

</pre>