Mol:BMCCCC--0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 33  0  0  0  0  0  0  0  0999 V2000 
    8.7350   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6010   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.6010    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.7350    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0029    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1369    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4049    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5388    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5388    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4049    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1369   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0029   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0029    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2709    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2709    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1369    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8690   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.1399   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8690    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5388   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.5521   -1.0590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.5521    0.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5878    2.0590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5878    0.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4049   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0029   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 16 17  1  0  0  0  0 
 16 15  2  0  0  0  0 
 16 10  1  0  0  0  0 
 17 14  2  0  0  0  0 
 17 11  1  0  0  0  0 
 15  7  1  0  0  0  0 
 15  6  1  0  0  0  0 
 10  9  2  0  0  0  0 
 10 27  1  0  0  0  0 
 14 13  1  0  0  0  0 
 14  5  1  0  0  0  0 
 11 12  2  0  0  0  0 
  7  8  2  0  0  0  0 
  9 26  1  0  0  0  0 
 27 22  1  0  0  0  0 
 13 18  2  0  0  0  0 
 13  4  1  0  0  0  0 
  5 21  1  0  0  0  0 
 12 28  1  0  0  0  0 
  8 25  1  0  0  0  0 
 26 20  1  0  0  0  0 
 18  1  1  0  0  0  0 
  4  3  2  0  0  0  0 
  1  2  2  0  0  0  0 
  3 24  1  0  0  0  0 
  2 23  1  0  0  0  0 
 24 19  1  0  0  0  0 
  6  5  1  0  0  0  0 
  9  8  1  0  0  0  0 
 12 18  1  0  0  0  0 
 25 20  1  0  0  0  0 
  3  2  1  0  0  0  0 
 23 19  1  0  0  0  0 
S  SKP  7 
ID	BMCCCC--0003 
NAME	12-Hydroxy-dihydro-chelirubine 
FORMULA	C21H17NO6 
EXACTMASS	379.1055 
AVERAGEMASS	379.3628 
SMILES	c(c(O)6)c(c(c(c64)cc(O5)c(OC5)c4)3)c(c(CN3C)1)c(OC)c(O2)c(OC2)c1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05193 
M  END