Mol:FL5FDCNS0002

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FL5FDCNS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.9630   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.1107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.6749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191    0.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5191    1.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1282   -1.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9942   -1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8431   -1.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1286   -1.7471    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  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 
  1 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  3 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25   -1.8431   -1.3346 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    0.4611   -1.0591 
S  SKP  8 
ID	FL5FDCNS0002 
KNApSAcK_ID	C00004637 
NAME	Caryatin;3,5-Di-O-Methylquercetin;2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one 
CAS_RN	1486-66-4 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c3)c(C(=O)1)c(cc(O)3)OC(c(c2)cc(O)c(O)c2)=C(OC)1 
M  END
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