Mol:FLNAA9NP0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 34  0  0  0  0  0  0  0  0999 V2000 
   -0.8657    0.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3094    0.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2467    0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2467   -0.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8234   -0.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4002   -0.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4002    0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8234    0.9913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8655    0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3094   -0.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8234   -1.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2705   -1.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2705   -1.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8234   -2.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3764   -1.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3764   -1.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9765    0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3094    1.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8657    1.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4220    0.9794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4220    1.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4216   -0.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4216   -0.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8655   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4220    2.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9004    1.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8655   -1.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9765   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9595    0.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3094   -0.8537    0.0000 O   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  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  3  1  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  5 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 
  2 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 20  1  1  0  0  0  0 
 19 21  1  0  0  0  0 
  9 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 21 20  1  0  0  0  0 
 21 25  1  0  0  0  0 
 21 26  1  0  0  0  0 
 24 27  1  1  0  0  0 
 23 28  1  1  0  0  0 
 22 29  2  0  0  0  0 
 10 30  1  0  0  0  0 
 24 30  1  0  0  0  0 
S  SKP  8 
ID	FLNAA9NP0005 
KNApSAcK_ID	C00010216 
NAME	Tomentolide A 
CAS_RN	22562-07-8 
FORMULA	C25H22O5 
EXACTMASS	402.146723814 
AVERAGEMASS	402.43918 
SMILES	O(c41)C(C)(C)C=Cc(c(c2c(O5)c4C(=O)C(C)C5C)OC(=O)C=C2c(c3)cccc3)1 
M  END