Mol:FL1DECNF0001

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FL1DECNF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -2.1824    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1824   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6284   -0.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0743   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0743    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6284    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5206   -0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0319   -0.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5832   -0.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1334   -0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6717   -0.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2101   -0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2101    0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6717    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1334    0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5206   -1.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6284   -1.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7908    0.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1668    0.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7908   -0.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8014   -0.4798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1668    0.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8014    0.5261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3515    1.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9160    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2083    0.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6578    1.3533    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 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20  2  1  0  0  0  0 
 12 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 13  1  0  0  0  0 
  6 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  5 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  26  27 
M  SBL   2  1  29 
M  SMT   2  OCH3 
M  SVB   2 29   -0.5206    0.6731 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -1.3515    1.2456 
S  SKP  8 
ID	FL1DECNF0001 
KNApSAcK_ID	C00007962 
NAME	2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcon 
CAS_RN	77985-80-9 
FORMULA	C20H18O7 
EXACTMASS	370.10525293 
AVERAGEMASS	370.35272 
SMILES	c(c34)cc(cc3OCO4)CCC(=O)c(c1O)c(c(c(o2)c(cc2)1)OC)OC 
M  END
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