Mol:FL1DHYNS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.4959    0.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4959   -0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9419   -0.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3879   -0.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3879    0.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9419    0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342   -0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2817   -0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2696   -0.4694    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8198   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3582   -0.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8965   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8965    0.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3582    0.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8198    0.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342   -1.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4878   -0.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532    0.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4878    0.6620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8532    1.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3532    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1692   -0.6285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5453   -1.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3796   -0.6301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6651   -1.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26   -2.3796   -0.6301
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   -0.1692   -0.6285
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   -2.8532    1.1081
S  SKP  8
ID	FL1DHYNS0003
KNApSAcK_ID	C00007958
NAME	Dihydromilletenone methyl ether
CAS_RN	96400-40-7
FORMULA	C19H20O6
EXACTMASS	344.125988372
AVERAGEMASS	344.3585
SMILES	c(c1C(=O)CC(c(c3)cc(c2c3)OCO2)OC)(OC)cc(OC)cc1
M  END

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