Mol:FL2FE8NS0002

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FL2FE8NS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.8577    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8577   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3014   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7451   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7451    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3014    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1888   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3675   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3675    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1888    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9236    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4906    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0576    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0576    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4906    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9236    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1888   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3014   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3568    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4140    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5721    0.1753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5721   -0.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8577   -0.8328    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  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 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 20  1  1  0  0  0  0 
 13 21  1  0  0  0  0 
  2 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  SBV   1 24   -9.1886    5.5433 
S  SKP  8 
ID	FL2FE8NS0002 
KNApSAcK_ID	C00008337 
NAME	5,7,2',5'-Tetrahydroxy-6-methoxyflavanone 
CAS_RN	81524-09-6 
FORMULA	C16H14O7 
EXACTMASS	318.073952802 
AVERAGEMASS	318.27816 
SMILES	COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)c(O)ccc(O)1 
M  END
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