Mol:FL1DGANS0001

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FL1DGANS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.3304    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3304   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7764   -0.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2224   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2224    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7764    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6687   -0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1161   -0.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4352   -0.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9853   -0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5237   -0.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0621   -0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0621    0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5237    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9853    0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6687   -1.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7764   -1.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3564    0.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9388    0.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3148    0.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9388   -0.4840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6003    0.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3148    0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4995    1.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0640    2.1458    0.0000 C   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 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  3 17  1  0  0  0  0 
  5 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21  2  1  0  0  0  0 
 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  6 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26   -1.4995    1.2456 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24    2.6003    0.6447 
S  SKP  8 
ID	FL1DGANS0001 
KNApSAcK_ID	C00007956 
NAME	2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone 
CAS_RN	97868-10-5 
FORMULA	C18H18O7 
EXACTMASS	346.10525293 
AVERAGEMASS	346.33132 
SMILES	C(c(c3O)c(c(c(c3OC)2)OCO2)O)(=O)CCc(c1)ccc(OC)c1 
M  END
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