Mol:FL1DA9NM0006

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FL1DA9NM0006.png

 
 
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 21 22  0  0  0  0  0  0  0  0999 V2000 
    2.3913   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0579   -0.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0579    0.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3913    1.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7247    0.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7247   -0.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0166   -0.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2672   -0.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4568   -0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1438   -0.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1438    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8230    1.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5022    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5022   -0.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8230   -0.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4568   -1.0874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0344    1.0025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0579   -0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8230   -1.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5452    1.0408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1693    0.6283    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 
  6  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 
  9 16  2  0  0  0  0 
 13 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 11 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  21 
M  SMT   1 OCH3 
M  SBV   1 21   -7.8423    5.4958 
S  SKP  8 
ID	FL1DA9NM0006 
KNApSAcK_ID	C00008117 
NAME	2',4'-Dihydroxy-6'-methoxy-3'-methyldihydrochalcone;Myrigalone H 
CAS_RN	143502-00-5 
FORMULA	C17H18O4 
EXACTMASS	286.120509064 
AVERAGEMASS	286.32241999999997 
SMILES	COc(c1)c(C(=O)CCc(c2)cccc2)c(O)c(C)c(O)1 
M  END
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