Mol:FL1DEANI0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 32  0  0  0  0  0  0  0  0999 V2000 
    2.4513    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4513    0.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9161   -0.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3808    0.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3808    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9161    0.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8838   -0.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4194    0.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9550   -0.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4918    0.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9550   -0.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4918    0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0082    0.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4753    0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4753    0.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0082   -0.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0082   -0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9588    0.9725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8452    0.9199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9752    0.9725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9588   -0.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4410    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9233   -0.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4044    0.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9233   -0.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0082    1.5308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4044   -0.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8855   -0.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3653   -0.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8452   -0.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3653   -1.5308    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 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  7  1  0  0  0  0 
 10 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 10  1  0  0  0  0 
 16 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
 12 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
 13 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 30  1  0  0  0  0 
 29 31  1  0  0  0  0 
S  SKP  8 
ID	FL1DEANI0002 
KNApSAcK_ID	C00008023 
NAME	4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone 
CAS_RN	76015-51-5 
FORMULA	C25H30O6 
EXACTMASS	426.204238692 
AVERAGEMASS	426.5021 
SMILES	CC(C)=CCCC(=CCc(c(O)1)c(c(C(=O)CCc(c2)ccc(O)c2)c(O)c1O)O)C 
M  END