Mol:FL5FPTNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -1.8838    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8838   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7712   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7712    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3414   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3414    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5983    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4399    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9023   -0.8149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5983    0.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0252   -0.8152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5983   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8838   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  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  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 
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 15 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 13  1  0  0  0  0 
 14 23  1  0  0  0  0 
 22 24  2  0  0  0  0 
  2 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  28 
M  SMT   1 ^OCH3 
M  SBV   1 28   -9.0704    4.4090 
S  SKP  8 
ID	FL5FPTNS0003 
KNApSAcK_ID	C00005109 
NAME	Distemonanthin;3,4,8,10-Tetrahydroxy-9-methoxy-[2]benzopyrano[4,3-b][1]benzopyran-5,7-dione 
CAS_RN	549-20-2 
FORMULA	C17H10O9 
EXACTMASS	358.03248191800003 
AVERAGEMASS	358.2559 
SMILES	COc(c(O)4)c(O)c(C(=O)1)c(c4)OC(c32)=C(OC(=O)c(c(O)c(O)cc3)2)1 
M  END