Mol:FLIDWXNS0004

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FLIDWXNS0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.2825    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    1.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -0.6705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883   -0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6883   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762   -1.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907   -1.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398    1.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399    2.4642    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
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25   -2.6398    1.5982
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23    0.6762   -1.1857
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21    1.9253    -0.877
S  SKP  8
ID	FLIDWXNS0004
KNApSAcK_ID	C00009696
NAME	Bryacarpene 5;3,9,10-Trimethoxypterocarpene
CAS_RN	55306-18-8
FORMULA	C18H16O5
EXACTMASS	312.099773622
AVERAGEMASS	312.31664
SMILES	c(c1OC)(OC)ccc(c24)c(oc(c(c3OC4)ccc(OC)c3)2)1
M  END

</pre>

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