Mol:FL2FAAGM0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -0.7740    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7740   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2177   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3386   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3386    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2177    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8949   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4512   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4512    0.1513    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.8949    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0073    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5743    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1413    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1413    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5743    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0073    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8949   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3656    0.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2177   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3301   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7081    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2177    1.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3233    0.4409    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.9792   -0.0133    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.4837    0.1794    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.0056    0.1846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.3530    0.5321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8592    0.3503    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.7658    0.4797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3041   -0.4409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1998   -0.2972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0381    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0058    1.2520    0.0000 O   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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
 18  1  1  0  0  0  0 
  3 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 23 24  1  1  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 31  1  0  0  0  0 
 18 26  1  0  0  0  0 
 28 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  CH2OH 
M  SVB   1 35   -3.0381    0.9999 
S  SKP  8 
ID	FL2FAAGM0002 
KNApSAcK_ID	C00008240 
NAME	Cyrtopterin 
CAS_RN	- 
FORMULA	C23H26O10 
EXACTMASS	462.152597052 
AVERAGEMASS	462.44654 
SMILES	C(C(=O)4)C(Oc(c42)c(c(O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)c(C)c2O)C)c(c1)ccc(c1)O 
M  END