Mol:FL4DF8NS0002

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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    0.4018   -0.3157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.5132    0.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5132    1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0653    1.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0091    1.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2140    0.6899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5391    1.1690    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
  8 13  1  1  0  0  0
  9 14  1  6  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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  5 24  1  0  0  0  0
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  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  26  27
M  SBL   2  1  28
M  SMT   2  OCH3
M  SVB   2 28    -2.039     0.303
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  26
M  SMT   1  OCH3
M  SVB   1 26   -0.4937    0.2188
S  SKP  8
ID	FL4DF8NS0002
KNApSAcK_ID	C00008740
NAME	3,5,2'-Trihydroxy-7,8-dimethoxyflavanone 2'-acetate
CAS_RN	110065-76-4
FORMULA	C19H18O8
EXACTMASS	374.100167552
AVERAGEMASS	374.34142
SMILES	c(c([C@@H](O2)[C@H](C(c(c(O)3)c2c(c(OC)c3)OC)=O)O)1)(cccc1)OC(C)=O
M  END

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