Mol:FL1CA9NM0001

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Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.9517    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2736   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467   -0.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467    0.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -1.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953    1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077    0.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953   -1.2845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830    0.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4315    0.2297    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 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
  6 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  5 20  1  0  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  21
M  SMT   1 OCH3
M  SBV   1 21   -5.0214    3.9216
S  SKP  8
ID	FL1CA9NM0001
KNApSAcK_ID	C00007040
NAME	Aurentiacin A
CAS_RN	60433-78-5
FORMULA	C17H16O4
EXACTMASS	284.104859
AVERAGEMASS	284.30654
SMILES	COc(c(C)1)c(C(=O)C=Cc(c2)cccc2)c(O)cc(O)1
M  END

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