Mol:FL4DEANS0001

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FL4DEANS0001.png

 
 
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 28 30  0  0  0  0  0  0  0  0999 V2000 
    1.2194    1.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7190    1.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7190    0.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2194    0.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7198    0.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7199    1.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1836   -0.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7199   -0.6150    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.2203   -0.3261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.2204    0.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7204   -0.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7204   -1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2348   -1.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7491   -1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7492   -0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2348   -0.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8098    0.0142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2194    1.9850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2624   -1.5052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7199   -1.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0571   -1.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6416   -1.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2133   -2.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1305   -0.9553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2188    0.2519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8542   -0.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4689    1.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1239    2.7378    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  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 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 11  1  0  0  0  0 
  9 17  1  1  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
  8 20  1  1  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 21 23  1  0  0  0  0 
  8 24  1  6  0  0  0 
  3 25  1  0  0  0  0 
  7 26  2  0  0  0  0 
  2 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  29 
M  SMT   1  OCH3 
M  SVB   1 29   -2.3792   -0.0446 
S  SKP  8 
ID	FL4DEANS0001 
KNApSAcK_ID	C00000979 
NAME	6-Methoxyaromadendrin 3-O-acetate;3,5,7,4'-Tetrahydroxy-6-methoxyflavanone 3-acetate 
CAS_RN	130926-71-5 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	c(c3OC)(O)cc(O1)c(c3O)C([C@](OC(C)=O)([C@]1(c(c2)ccc(O)c2)[H])[H])=O 
M  END
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