Mol:FLIDHXNS0004

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FLIDHXNS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 29  0  0  0  0  0  0  0  0999 V2000 
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   -1.6630    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.0415   -0.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5332   -0.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7682    0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8729   -0.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4476   -0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6826   -0.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3429    0.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1061    1.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6856   -0.1954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8589    0.6963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8770   -1.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3775   -1.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2573   -0.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3775    0.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3628    0.6905    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 
  7 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13  8  1  0  0  0  0 
 12 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 13  1  0  0  0  0 
 18  1  1  0  0  0  0 
  7 19  1  6  0  0  0 
  8 20  1  6  0  0  0 
 15 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 16  1  0  0  0  0 
  2 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28   -2.3775    0.5198 
S  SKP  8 
ID	FLIDHXNS0004 
KNApSAcK_ID	C00002533 
NAME	Hildecarpin;3,6a-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan 
CAS_RN	99624-64-3 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c(O)5)cc(c(c5)4)[C@]([H])(O1)[C@@](O)(CO4)c(c2)c(cc(O3)c(OC3)2)1 
M  END
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