Mol:FL5FACGS0027

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 43 47  0  0  0  0  0  0  0  0999 V2000 
   -3.2135    0.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2135    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6572   -0.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1009    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1009    0.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6572    1.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5446   -0.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9883    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9883    0.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5446    1.1832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5446   -0.6023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2879    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2791    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8461    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8461    1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2791    2.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2879    1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6572   -0.7436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4529    2.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7085    1.1832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4250   -0.1898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2791    2.9434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2152   -1.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8434   -1.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6440   -1.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8434   -0.4534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2152   -0.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4144   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1848   -0.7881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3765   -2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6918   -2.4183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2643   -1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7814   -2.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4806   -2.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0591   -2.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6411   -2.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1225   -2.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3634   -2.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2227   -2.1863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6016   -1.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9088   -1.2074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9940   -2.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7085   -2.9434    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 
  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 
 19 15  1  0  0  0  0 
 20  1  1  0  0  0  0 
 21  8  1  0  0  0  0 
  4  3  1  0  0  0  0 
 16 22  1  0  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 27  1  0  0  0  0 
 27 28  1  1  0  0  0 
 28 23  1  1  0  0  0 
 28 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 25 32  1  0  0  0  0 
 27 21  1  0  0  0  0 
 33 34  1  0  0  0  0 
 34 35  1  1  0  0  0 
 35 36  1  1  0  0  0 
 37 36  1  1  0  0  0 
 37 38  1  0  0  0  0 
 38 33  1  0  0  0  0 
 33 39  1  0  0  0  0 
 38 40  1  0  0  0  0 
 37 41  1  0  0  0  0 
 31 34  1  0  0  0  0 
 36 42  1  0  0  0  0 
 42 43  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  42  43 
M  SBL   1  1  46 
M  SMT   1 CH2OH 
M  SBV   1 46   -8.3427    6.2100 
S  SKP  8 
ID	FL5FACGS0027 
KNApSAcK_ID	C00005416 
NAME	Quercetin 3-galactosyl-(1->4)-rhamnoside 
CAS_RN	98618-77-0 
FORMULA	C27H30O16 
EXACTMASS	610.153384912 
AVERAGEMASS	610.5175 
SMILES	C(=C3OC(C(O)5)OC(C)C(C5O)OC(O4)C(O)C(O)C(C4CO)O)(Oc(c2)c(C3=O)c(O)cc2O)c(c1)ccc(O)c1O 
M  END