Mol:FL2FADNS0001

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FL2FADNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.9505    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9505   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4500   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9496   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9496    0.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4500    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4491   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0513   -0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0513    0.1323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.4491    0.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5514    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0658    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5801    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5801    1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0658    1.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5514    1.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0513    0.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4506    0.4211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0934    1.3113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4500   -1.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4491   -1.1877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4461   -0.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3122   -0.5789    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 
  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  0  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 
  9 17  1  1  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
  7 21  2  0  0  0  0 
 13 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    1.7361    0.2148 
S  SKP  8 
ID	FL2FADNS0001 
KNApSAcK_ID	C00000969 
NAME	Homoeriodictyol 
CAS_RN	446-71-9 
FORMULA	C16H14O6 
EXACTMASS	302.07903818 
AVERAGEMASS	302.27876000000003 
SMILES	COc(c(O)3)cc(cc3)[C@]([H])(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 
M  END
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