Mol:FL6DACNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -2.0023   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0023   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4460   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8897   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8897   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4460    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3334   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2229   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2229   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3334    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7790    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3459   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9129    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9129    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3459    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7790    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4460   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3334   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4797    0.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3459    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4797    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7790   -1.1394    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  3 17  1  0  0  0  0 
  7 18  1  1  0  0  0 
 19  1  1  0  0  0  0 
 15 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
  8 22  1  1  0  0  0 
S  SKP 11 
ID	FL6DACNS0001 
KNApSAcK_ID	C00008991 
NAME	Catechin-4beta-ol 
CAS_RN	93527-39-0 
FORMULA	C15H14O7 
EXACTMASS	306.073952802 
AVERAGEMASS	306.26746 
SMILES	Oc(c3)c(O)cc(c3)[C@H](O1)[C@@H](O)[C@@H](O)c(c(O)2)c(cc(O)c2)1 
AUTODRAW	false 
M  END