Mol:FL6D1CNS0007

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Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
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   -1.6121   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0558   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0558   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4995   -1.1349    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0568   -0.8137    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0568   -0.1713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4995    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7469    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7469    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469    0.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7469    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9228   -1.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7888   -1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3818    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9359   -1.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4633    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 19  1  1  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 23  1  1  0  0  0
 23 24  1  0  0  0  0
 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  25  26
M  SBL   5  1  27
M  SMT   5  OCH3
M  SVB   5 27    1.4633    1.7079
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  23  24
M  SBL   4  1  25
M  SMT   4  OCH3
M  SVB   4 25   -0.9359   -1.2954
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  21  22
M  SBL   3  1  23
M  SMT   3  OCH3
M  SVB   3 23   -2.2313    0.1988
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  19  20
M  SBL   2  1  21
M  SMT   2  OCH3
M  SVB   2 21    0.2557   -1.0199
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  17  18
M  SBL   1  1  19
M  SMT   1  OCH3
M  SVB   1 19    2.3137    1.1317
S  SKP  8
ID	FL6D1CNS0007
KNApSAcK_ID	C00009001
NAME	Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether
CAS_RN	77292-34-3
FORMULA	C20H24O6
EXACTMASS	360.1572885
AVERAGEMASS	360.40096
SMILES	c(c1)c(OC)c(cc1[C@H]([C@H]2OC)Oc(c3)c(ccc3OC)[C@@H]2OC)OC
M  END

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