Mol:FL5FDCNM0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -0.6778   -0.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6731    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0320   -1.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7511   -0.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7558    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0437    0.6118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1847    0.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4726    0.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3829    0.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1021    0.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1067   -0.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3970   -1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8938    0.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8909    1.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1786    1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4695    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3970   -1.8551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0320   -1.8632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6054    1.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7725    0.5985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4140   -1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0572   -0.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7700   -0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5972    0.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6054    0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3829    1.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  2  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  5  1  0  0  0  0 
  2  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12  1  2  0  0  0  0 
  7 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  8  2  0  0  0  0 
 12 17  1  0  0  0  0 
  3 18  2  0  0  0  0 
 14 19  1  0  0  0  0 
 10 20  1  0  0  0  0 
  4 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 11 23  1  0  0  0  0 
 13 24  1  0  0  0  0 
 20 25  1  0  0  0  0 
  9 26  1  0  0  0  0 
S  SKP  8 
ID	FL5FDCNM0005 
KNApSAcK_ID	C00013511 
NAME	2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6,8-dimethyl-4H-1-benzopyran-4-one 
CAS_RN	181884-09-3 
FORMULA	C19H18O7 
EXACTMASS	358.10525293 
AVERAGEMASS	358.34202000000005 
SMILES	c(c1OC)(c(c(C2=O)c(OC(c(c3)cc(O)c(O)c3)=C2OC)c1C)O)C 
M  END