Mol:FL4DEANS0003

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Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
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   -0.7040    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7458    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3377    0.1001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1832    0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8581    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1832   -1.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3925    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3925    1.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8581    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7691   -0.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4603    1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2915   -1.1802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1030    0.7188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030    1.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4603   -0.3182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4290   -0.0698    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
  9 11  1  6  0  0  0
  7 12  2  0  0  0  0
 11 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
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 17 11  1  0  0  0  0
  8 18  1  1  0  0  0
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 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   -2.4603   -0.3182
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    -2.103    0.7188
S  SKP  8
ID	FL4DEANS0003
KNApSAcK_ID	C00008565
NAME	3,5,4'-Trihydroxy-6,7-dimethoxyflavanone
CAS_RN	75457-73-1
FORMULA	C17H16O7
EXACTMASS	332.089602866
AVERAGEMASS	332.30474
SMILES	COc(c1)c(OC)c(O)c(C(=O)2)c1O[C@H](c(c3)ccc(O)c3)[C@@H](O)2
M  END

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