Mol:FL6F1CNS0003

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Copyright: ARM project http://www.metabolome.jp/
 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.3202   -0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -1.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -0.1758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281   -0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    0.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8763   -0.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    0.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763    0.3935    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1 OCH3
M  SBV   1 21   -5.4824    3.8521
S  SKP  8
ID	FL6F1CNS0003
KNApSAcK_ID	C00008760
NAME	7,3'-Dihydroxy-4'-methoxyflavan
CAS_RN	162290-05-3
FORMULA	C16H16O4
EXACTMASS	272.104859
AVERAGEMASS	272.29584
SMILES	COc(c3)c(O)cc(c3)C(C1)Oc(c2)c(ccc(O)2)C1
M  END

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