Mol:FL4DFANS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.7701   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3134   -0.5014    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3134    0.1001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2075    0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8338    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2075   -1.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3681    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9025    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9025    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3681    1.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8338    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2905    0.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448   -0.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3158   -1.1802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2905    1.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5908    0.6369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3505    0.9744    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  0  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
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  8 19  1  0  0  0  0
  2 20  1  0  0  0  0
 15 21  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -0.5908    0.6369
S  SKP  8
ID	FL4DFANS0001
KNApSAcK_ID	C00008568
NAME	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone
CAS_RN	98006-94-1
FORMULA	C16H14O7
EXACTMASS	318.073952802
AVERAGEMASS	318.27816
SMILES	COc(c(O)3)c(O1)c(c(O)c3)C(=O)C(O)C(c(c2)ccc(O)c2)1
M  END

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