Mol:FL3FAAGS0005

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FL3FAAGS0005.png

 
 
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 31 34  0  0  0  0  0  0  0  0999 V2000 
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    0.9880    1.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4317    1.4390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4317   -0.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5441    1.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1110    1.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.7171   -1.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1004   -0.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8117   -0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.1393   -1.1431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8923   -2.4209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9915   -1.7696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2448    2.4209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6615   -1.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2448   -0.4320    0.0000 O   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 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
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 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 19  1  0  0  0  0 
 15 29  1  0  0  0  0 
 25 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1 ^CH2OH 
M  SBV   1 33   -8.3949    5.4924 
S  SKP  8 
ID	FL3FAAGS0005 
KNApSAcK_ID	C00004140 
NAME	Apigenin 5-galactoside 
CAS_RN	84268-41-7 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	C(C1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)ccc(O)c2)(O)C(O)C(O)C(O1)CO 
M  END
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