Mol:FLIE3ANS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.1039    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476   -0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476    0.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    0.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722   -1.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722   -0.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -1.1348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4612   -1.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774    0.8362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476    1.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4612    1.1339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9613    1.9999    0.0000 C   0  0  0  0  0  0  0  0  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  2  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 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
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
  9 19  2  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -2.4612    1.1339
S  SKP  8
ID	FLIE3ANS0001
KNApSAcK_ID	C00009764
NAME	Sativol;4,9-Dihydroxy-3-methoxycoumestan;8,12-Dihydroxy-7-methoxycoumestan
CAS_RN	7331-58-0
FORMULA	C16H10O6
EXACTMASS	298.047738052
AVERAGEMASS	298.24699999999996
SMILES	COc(c4)c(O)c(O3)c(c4)c(o1)c(C(=O)3)c(c2)c(cc(O)c2)1
M  END

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