Mol:FL5FFCNSS001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -1.8804   -0.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8804   -0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3241   -1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7678   -0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7678   -0.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3241    0.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2115   -1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3448   -0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3448   -0.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2115    0.1357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2115   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9009    0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4679   -0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0349    0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0349    0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4679    1.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9009    0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3235   -1.6911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4921    0.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4473    1.6911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4921    1.1758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9246   -1.1342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2446   -1.1342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6053   -1.1283    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6053   -0.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6053   -1.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3241    0.7778    0.0000 O   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 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 18  3  1  0  0  0  0 
 19  1  1  0  0  0  0 
 16 20  1  0  0  0  0 
 21 15  1  0  0  0  0 
 24 25  2  0  0  0  0 
 24 26  2  0  0  0  0 
 23 24  1  0  0  0  0 
 22 24  1  0  0  0  0 
  8 22  1  0  0  0  0 
  6 27  1  0  0  0  0 
S  SKP  8 
ID	FL5FFCNSS001 
KNApSAcK_ID	C00004987 
NAME	Gossypetin 3-O-sulfate 
CAS_RN	- 
FORMULA	C15H10O11S 
EXACTMASS	397.994381852 
AVERAGEMASS	398.2993 
SMILES	Oc(c3)c(O)cc(c3)C(O1)=C(OS(O)(=O)=O)C(=O)c(c(O)2)c1c(O)c(O)c2 
M  END