Mol:FL3FGANS0011

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FL3FGANS0011.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.1040    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1040   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5477   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9914   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9914    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5477    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1212   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1212    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8112    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8112    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5477   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7149    0.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0925   -0.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7149   -0.6896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5477    1.1146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0925    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  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  2  1  0  0  0  0
  6 22  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  26
M  SMT   1 OCH3
M  SBV   1 26   -6.1531    3.4073
S  SKP  8
ID	FL3FGANS0011
KNApSAcK_ID	C00004003
NAME	Kanzakiflavone 1
CAS_RN	59870-76-7
FORMULA	C17H12O7
EXACTMASS	328.058302738
AVERAGEMASS	328.27297999999996
SMILES	COc(c4)ccc(c4)C(=C3)Oc(c(O)1)c(C(=O)3)c(O)c(O2)c(OC2)1
M  END

</pre>

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