Mol:FL6FABNS0001

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Copyright: ARM project http://www.metabolome.jp/
 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.3202    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8763    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763    1.0418    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  0  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
  3 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   -5.6680    2.8917
S  SKP  8
ID	FL6FABNS0001
KNApSAcK_ID	C00008754
NAME	5,7-Dihydroxy-4'-methoxyflavan
CAS_RN	131866-08-5
FORMULA	C16H16O4
EXACTMASS	272.104859
AVERAGEMASS	272.29584
SMILES	COc(c3)ccc(c3)C(C2)Oc(c1)c(C2)c(O)cc(O)1
M  END

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