Mol:FL4DEANS0002

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FL4DEANS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.7458   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2249   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7040   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7040    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2249    0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7458    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1832   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3377   -0.5014    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.3377    0.1001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.1832    0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8581    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1832   -1.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3925    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9268    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9268    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3925    1.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8581    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2662    0.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7691   -0.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4603    1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2915   -1.1802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4603   -0.3182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4290   -0.0698    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  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  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  4  1  0  0  0  0 
  9 11  1  6  0  0  0 
  7 12  2  0  0  0  0 
 11 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 11  1  0  0  0  0 
  6 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
 15 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -2.4603   -0.3182 
S  SKP  8 
ID	FL4DEANS0002 
KNApSAcK_ID	C00008564 
NAME	3,5,7,4'-Tetrahydroxy-6-methoxyflavanone 
CAS_RN	130926-73-7 
FORMULA	C16H14O7 
EXACTMASS	318.073952802 
AVERAGEMASS	318.27816 
SMILES	COc(c(O)3)c(O)c(C(=O)1)c(c3)O[C@H](c(c2)ccc(O)c2)[C@@H](O)1 
M  END
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