Mol:FL1BAJNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.1444   -1.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1444   -1.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4299   -2.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4299   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7155   -1.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7155   -1.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0012   -0.6108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7151   -1.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7142   -1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2976   -2.4334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4296   -0.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4296    0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1446    0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1444    1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4297    1.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7156    1.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7157    0.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8589   -0.6123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8589    1.8615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4299   -3.0873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4297    2.6861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0012    1.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3794   -1.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7349    3.0873    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  5  2  0  0  0  0 
  6  4  2  0  0  0  0 
  4  1  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  5  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
  8 23  1  0  0  0  0 
 21 24  1  0  0  0  0 
S  SKP  8 
ID	FL1BAJNS0001 
KNApSAcK_ID	C00014660 
NAME	Amaronol B;(-)-2-[(3,5-Dihydroxy-4-methoxyphenyl)methyl]-2,4,6-trihydroxy-3(2H)-benzofuranone 
CAS_RN	226561-02-0 
FORMULA	C16H14O8 
EXACTMASS	334.068867424 
AVERAGEMASS	334.27756 
SMILES	COc(c(O)3)c(O)cc(c3)CC(O)(O1)C(=O)c(c(O)2)c(cc(O)c2)1 
M  END