Mol:FL4DA9NS0002

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Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.5761   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5344   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5344    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0135   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5074   -0.4629    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5074    0.1385    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0135    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0135   -1.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0965    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0965    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0965    0.4390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -1.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -1.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3388   -2.1941    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
  3  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  4  1  0  0  0  0
  9 11  1  6  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
  8 20  1  1  0  0  0
 20 21  1  0  0  0  0
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    0.9059   -1.2927
S  SKP  8
ID	FL4DA9NS0002
KNApSAcK_ID	C00008547
NAME	Pinobanksin 3-methyl ether
CAS_RN	129843-35-5
FORMULA	C16H14O5
EXACTMASS	286.084123558
AVERAGEMASS	286.27936
SMILES	CO[C@@H](C(=O)2)[C@H](Oc(c3)c(c(O)cc(O)3)2)c(c1)cccc1
M  END

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