Mol:FL5FAEGA0001

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FL5FAEGA0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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   -2.7830   -0.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2267   -1.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6704   -0.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6704   -0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2267    0.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.5577   -0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1140    0.2318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1140   -1.5537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0017    0.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5653   -0.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1323    0.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1323    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5653    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0017    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0904   -1.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1358   -0.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7481   -1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4936   -1.2490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2436   -1.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6313   -0.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8858   -1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4087   -0.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1546   -0.5380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3910    0.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2267   -1.6950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3939    0.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5653    1.8683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6991    1.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4136    0.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6794   -1.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3939   -1.8683    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 
 19 20  1  0  0  0  0 
 20 21  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 20 18  1  0  0  0  0 
 18  8  1  0  0  0  0 
 22 21  1  1  0  0  0 
  3 28  1  0  0  0  0 
  1 29  1  0  0  0  0 
 16 30  1  0  0  0  0 
 15 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 22 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1 OCH3 
M  SBV   1 34   -4.6251    5.7035 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2 CH2OH 
M  SBV   2 36   -4.7561    5.3825 
S  SKP  8 
ID	FL5FAEGA0001 
KNApSAcK_ID	C00005590 
NAME	Tamarixetin 3-galactoside;Quercetin 4'-methyl ether 3-galactoside;3-(beta-D-Galactopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	52305-25-6 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	Oc(c1)c(ccc1C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(O)C(C(C(CO)2)O)O)OC 
M  END
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