Mol:FL2FA9NC0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 39  0  0  0  0  0  0  0  0999 V2000 
   -1.0615   -0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5406   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0197   -0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0197    0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5406    0.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0615    0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5406   -1.1519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5011   -0.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0220   -0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0220    0.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5011    0.5564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5424    0.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5011   -1.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0768    0.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6111    0.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6111    1.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0768    1.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5424    1.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5819   -0.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5819   -1.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0967   -1.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0967   -2.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5819   -2.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0670   -2.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0670   -1.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6111   -1.2473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5819    0.5561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5406    1.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1731    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3698    1.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9126    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9126    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3698    2.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1731    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6156    2.3781    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  1  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11  4  1  0  0  0  0 
 10 12  1  0  0  0  0 
  8 13  2  0  0  0  0 
 12 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 12  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  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 
 24 25  2  0  0  0  0 
 25 20  1  0  0  0  0 
 21 26  1  0  0  0  0 
  6 27  1  0  0  0  0 
  5 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  2  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  2  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  2  0  0  0  0 
 34 29  1  0  0  0  0 
 34 35  1  0  0  0  0 
S  SKP  8 
ID	FL2FA9NC0005 
KNApSAcK_ID	C00008390 
NAME	Dichamanetin 
CAS_RN	58779-09-2 
FORMULA	C29H24O6 
EXACTMASS	468.1572885 
AVERAGEMASS	468.49726 
SMILES	C(c(c4O)c(O)c(Cc(c5)c(ccc5)O)c(c42)OC(c(c3)cccc3)CC2=O)c(c1)c(ccc1)O 
M  END