Mol:FL4DFAGS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
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    0.6795   -0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2004   -0.4575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.2004    0.1439    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.6795    0.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6795   -1.2822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.8375    0.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8375    1.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3088    1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7801    1.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4163    0.4518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6686   -1.0342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.3662    1.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0807    0.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
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  9 12  1  6  0  0  0 
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  8 19  1  1  0  0  0 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  34  35 
M  SBL   3  1  37 
M  SMT   3  CH2OH 
M  SVB   3 37   -3.1944     1.074 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2  OCH3 
M  SVB   2 35    3.3662    1.3591 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33   -0.1021    1.0074 
S  SKP  8 
ID	FL4DFAGS0003 
KNApSAcK_ID	C00008691 
NAME	Dihydroprudomenin 
CAS_RN	24512-61-6 
FORMULA	C23H26O12 
EXACTMASS	494.142426296 
AVERAGEMASS	494.44534 
SMILES	O(C)c(c4)ccc(c4)[C@H]([C@H]3O)Oc(c(C3=O)2)c(OC)c(cc2O)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O 
M  END