Mol:FL1ABCNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2456   -0.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2456    0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7648    0.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841    0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841   -0.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7648   -0.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754   -0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3230    0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754    0.5464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8032    0.6608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1187    0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0026    0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3029   -0.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9035   -0.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2037    0.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9035    0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3029    0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8032    0.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5311   -0.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2032    1.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197   -0.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052   -1.1006    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  8 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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  7 19  2  0  0  0  0
 16 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1 OCH3
M  SBV   1 23   -5.9864    5.0154
S  SKP  8
ID	FL1ABCNS0001
KNApSAcK_ID	C00008028
NAME	Rengasin
CAS_RN	54826-89-0
FORMULA	C16H12O6
EXACTMASS	300.063388116
AVERAGEMASS	300.26288
SMILES	COc(c3)c(c(=O)1)c(cc(O)3)oc(=Cc(c2)cc(O)c(O)c2)1
M  END

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