Mol:PBX00059

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PBX00059.png

 
 OpenBabel10130914012D 
 
 41 45  0  0  0  0  0  0  0  0999 V2000 
    3.4676   -3.9973    0.0000 C   0  0  0  0  0 
    3.4676   -5.3298    0.0000 C   0  0  0  0  0 
    2.3117   -3.3391    0.0000 C   0  0  0  0  0 
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    0.0000   -3.3391    0.0000 O   0  0  0  0  0 
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    8.0910   -9.3271    0.0000 O   0  0  0  0  0 
   12.6983   -9.3271    0.0000 C   0  0  0  0  0 
   13.8542   -9.9853    0.0000 O   0  0  0  0  0 
   14.9940   -8.0107    0.0000 O   0  0  0  0  0 
   14.9940   -5.3458    0.0000 O   0  0  0  0  0 
   12.6983   -1.3324    0.0000 O   0  0  0  0  0 
   15.0100    0.0000    0.0000 O   0  0  0  0  0 
   17.3217   -1.3324    0.0000 O   0  0  0  0  0 
   17.3217   -3.9973    0.0000 C   0  0  0  0  0 
  1  2  1  0  0  0 
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  5  6  2  0  0  0 
  5 31  1  0  0  0 
  7  8  1  0  0  0 
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 30 40  1  0  0  0 
 34 35  1  0  0  0 
S  SKP  6 
NAME	Naringin 
ID	PBX00059 
FORMULA	C27H32O14 
EXACTMASS	580.179205732 
AVERAGEMASS	580.53458 
SMILES	O(C5C)C(C(C(C5O)O)O)OC(C4O)C(OC(C4O)CO)Oc(c3)cc(O1)c(c3O)C(CC(c(c2)ccc(O)c2)1)=O 
M  END
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