Mol:FLIE1CNS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 27  0  0  0  0  0  0  0  0999 V2000
   -2.3353    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3353    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7790   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7790    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0408   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0408    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6605   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460    1.0085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2888   -1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6925   -0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2888   -0.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6925    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1924    2.1723    0.0000 C   0  0  0  0  0  0  0  0  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  2  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
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  9 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  26
M  SMT   1  OCH3
M  SVB   1 26   -2.6925    1.3062
S  SKP  8
ID	FLIE1CNS0003
KNApSAcK_ID	C00009766
NAME	Flemichapparin C;3-Methoxy-8,9-methylenedioxycoumestan
CAS_RN	3862-34-8
FORMULA	C17H10O6
EXACTMASS	310.047738052
AVERAGEMASS	310.2577
SMILES	COc(c5)cc(O4)c(c5)c(o1)c(C(=O)4)c(c2)c(cc(O3)c(OC3)2)1
M  END

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