Mol:FL5FF9NS0015

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Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
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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
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  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  27  28
M  SBL   2  1  29
M  SMT   2  OCH3
M  SVB   2 29   -1.6188    0.4683
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  27
M  SMT   1  OCH3
M  SVB   1 27    1.1625    -0.999
S  SKP  8
ID	FL5FF9NS0015
KNApSAcK_ID	C00004920
NAME	Isognaphalin 8-butyrate
CAS_RN	98204-85-4
FORMULA	C21H20O7
EXACTMASS	384.120902994
AVERAGEMASS	384.37929999999994
SMILES	COc(c3)c(c(c(c(O)3)2)OC(=C(C2=O)OC)c(c1)cccc1)OC(=O)CCC
M  END

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