Mol:FL3FF8NS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.7790    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7790   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693   -0.5095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9447    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5082    1.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1362    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6362    1.6360    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
 13 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 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   -2.1362      0.77
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   -0.9447    1.0455
S  SKP  8
ID	FL3FF8NS0003
KNApSAcK_ID	C00003844
NAME	Skullcapflavone I;5-Hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one
CAS_RN	41060-16-6
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c3)c(OC)c(O1)c(c(O)3)C(=O)C=C1c(c2)c(O)ccc2
M  END

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