Mol:FL5FDCGSS001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 38 41  0  0  0  0  0  0  0  0999 V2000
    2.0041    0.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2896    1.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2896    1.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0041    2.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7185    1.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7185    1.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751    0.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1393    1.0774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8538    0.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8538   -0.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1393   -0.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751   -0.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5683    1.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828    0.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828   -0.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5683   -0.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1393   -1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9972    1.0774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2896   -0.5726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5683   -1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4330    2.3149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3560    0.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0041   -0.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0978   -1.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6852   -1.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8868   -1.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0934   -1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5059   -1.1870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3043   -1.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4613   -0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9412   -0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5810   -1.6526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1339   -1.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -2.3149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0027    0.4991    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5810    0.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   -0.1363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897    1.2021    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
 19 23  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 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
 27 20  1  0  0  0  0
 22 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 35 38  2  0  0  0  0
 22  6  1  0  0  0  0
S  SKP  8
ID	FL5FDCGSS001
KNApSAcK_ID	C00013903
NAME	Quercetin 3-methyl ether 5-glucoside-3'-sulfate
CAS_RN	-
FORMULA	C22H22O15S
EXACTMASS	558.067940724
AVERAGEMASS	558.4670800000001
SMILES	O=C(c23)C(OC)=C(Oc2cc(cc(OC(C(O)4)OC(CO)C(C4O)O)3)O)c(c1)cc(OS(O)(=O)=O)c(O)c1
M  END

</pre>