Mol:FL1CA9NP0003

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FL1CA9NP0003.png

 
 
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 26 28  0  0  0  0  0  0  0  0999 V2000 
    1.3620   -0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3620   -0.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9183   -1.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4746   -0.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4746   -0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9183    0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1050   -0.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6613   -1.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4511   -1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0120   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4511   -1.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0120   -0.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5647    0.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1173   -0.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1173   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5647   -1.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5647   -1.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4383    0.1443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4383    0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0120    1.1381    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -1.5858    0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0120    1.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1246    0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0953    1.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4746    0.4318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9746    1.2978    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  1  2  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
 10 12  2  0  0  0  0 
 12 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 10  1  0  0  0  0 
 17 16  1  0  0  0  0 
 12 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 13  1  0  0  0  0 
 20 22  1  0  0  0  0 
 19 23  1  0  0  0  0 
 19 24  1  0  0  0  0 
 14 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -2.4746    0.4318 
S  SKP  8 
ID	FL1CA9NP0003 
KNApSAcK_ID	C00007082 
NAME	Helichromanochalcone 
CAS_RN	72247-81-5 
FORMULA	C21H22O5 
EXACTMASS	354.146723814 
AVERAGEMASS	354.39638 
SMILES	COc(c3)c(c1c(c(O)3)C(=O)C=Cc(c2)cccc2)CC(C(O1)(C)C)O 
M  END
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