Mol:FL4DCDNS0002

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Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
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   -1.3505   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8296   -0.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8296    0.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3505    0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2122   -0.4893    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2122    0.1122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3087    0.4129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3781    0.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6553   -0.9324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7919    0.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3206    0.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8493    0.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8493    1.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3206    1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7919    1.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1201   -1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1201   -1.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6641   -1.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7153    1.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850    1.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0088    2.7983    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
  3  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  4  1  0  0  0  0
  7 11  2  0  0  0  0
  2 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  27
M  SMT   1  OCH3
M  SVB   1 27     1.585    1.8925
S  SKP  8
ID	FL4DCDNS0002
KNApSAcK_ID	C00008745
NAME	3,5,7,4'-Tetrahydroxy-3'-methoxyflavanone 3-acetate
CAS_RN	107390-27-2
FORMULA	C18H16O8
EXACTMASS	360.08451748799996
AVERAGEMASS	360.31484
SMILES	c(c21)(O)cc(O)cc(O[C@H](c(c3)cc(OC)c(O)c3)C(C2=O)OC(C)=O)1
M  END

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