Mol:FL4DFANS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.0300   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5091   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9882   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9882    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5091    0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0300    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4673   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0535   -0.5014    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0535    0.1001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4673    0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5739    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4673   -1.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6426    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6426    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1083    1.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5739    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5504    0.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849   -0.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757   -1.1802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5504    0.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5504    0.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8507    0.6369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0906    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
 21 22  1  0  0  0  0
  5 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   -0.8507    0.6369
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    2.5504    0.7443
S  SKP  8
ID	FL4DFANS0002
KNApSAcK_ID	C00008569
NAME	3,5,7-Trihydroxy-8,4'-dimethoxyflavanone
CAS_RN	111514-42-2
FORMULA	C17H16O7
EXACTMASS	332.089602866
AVERAGEMASS	332.30474
SMILES	COc(c3)ccc(c3)C(O1)C(O)C(=O)c(c(O)2)c1c(OC)c(O)c2
M  END

</pre>