Mol:FLIAFCGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
   -1.6380    0.8464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0817    0.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5254    0.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0307    0.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0307   -0.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6074   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1842   -0.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1842    0.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6074    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0815   -0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5254   -0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6074   -1.1391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7605   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7605   -1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3119   -1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8632   -1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8632   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3119   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7419    0.6426    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -3.3957    0.1856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.8971    0.3795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.3774    0.3738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.7656    0.7344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2749    0.5515    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -4.1289    0.8661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7225   -0.2446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6114   -0.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4146   -1.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5359   -1.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4146   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1290   -0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4743    1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4296    1.7238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2473    1.4194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1893    2.3190    0.0000 C   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  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11  5  1  0  0  0  0 
  6 12  2  0  0  0  0 
  7 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 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
 19 20  1  1  0  0  0 
 20 21  1  1  0  0  0 
 22 21  1  1  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22  1  1  0  0  0  0 
 16 28  1  0  0  0  0 
 11 29  1  0  0  0  0 
 17 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
  3 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  32  33 
M  SBL   3  1  35 
M  SMT   3  CH2OH 
M  SVB   3 35   -3.4743    1.4283 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  34  35 
M  SBL   2  1  37 
M  SMT   2  OCH3 
M  SVB   2 37   -0.2473    1.4194 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33    3.4146    -0.155 
S  SKP  8 
ID	FLIAFCGS0001 
KNApSAcK_ID	C00010133 
NAME	Homotectorigenin 7-O-glucoside;Homotectoridin;5,7,4'-Trihydroxy-8,3'-dimethoxyisoflavone 7-O-glucoside 
CAS_RN	41744-53-0 
FORMULA	C23H24O12 
EXACTMASS	492.126776232 
AVERAGEMASS	492.42946 
SMILES	O[C@@H]([C@H]4O)[C@@H](OC(CO)[C@@H]4O)Oc(c(OC)3)cc(O)c(c13)C(C(c(c2)cc(c(c2)O)OC)=CO1)=O 
M  END