Mol:FL3FELNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.9350   -1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4088   -0.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4648   -0.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0470   -0.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5732   -0.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5172   -1.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1029    0.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6851    0.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2114    0.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1554   -0.1285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6927    0.8957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7933    0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8504    1.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4437    1.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9800    1.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9230    0.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3296    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8790   -1.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9388    0.0654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5732    1.6128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2726   -0.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5307    2.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6178    3.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1898   -1.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1180   -0.8071    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
 17 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26   -2.7769   -0.3996
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    2.0624    0.2661
S  SKP  8
ID	FL3FELNS0001
KNApSAcK_ID	C00003937
NAME	5,7,2',4'-Tetrahydroxy-6,5'-dimethoxyflavone
CAS_RN	81979-84-2
FORMULA	C17H14O8
EXACTMASS	346.068867424
AVERAGEMASS	346.28826
SMILES	COc(c(O)3)cc(c(O)c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c(O)1
M  END

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