Mol:FL5FCENS0001

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FL5FCENS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.4197   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8633   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.1944   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617   -1.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8633   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2768    1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0624    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7769    0.7145    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 
  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 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  8 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 15 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    2.0624     1.127 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -2.7769    0.4428 
S  SKP  8 
ID	FL5FCENS0001 
KNApSAcK_ID	C00004643 
NAME	Ombuin;3,5,3'-Trihydroxy-7,4'-dimethoxyflavone;4',7-Dimethylquercetin;3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one 
CAS_RN	529-40-8 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(O)c(OC)c2 
M  END
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