Mol:FL3FFANS0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  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
   -0.6513   -1.3131    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
   -1.4859    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0494    1.9452    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24   -1.4859    1.0455
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22    2.1618    1.4543
S  SKP  8
ID	FL3FFANS0006
KNApSAcK_ID	C00003853
NAME	Bucegin;Galangustin;5,7-Dihydroxy-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN	65501-87-3
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c3)ccc(c3)C(=C1)Oc(c(OC)2)c(c(O)cc(O)2)C(=O)1
M  END

</pre>