Mol:FLIB1LGS0001

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Copyright: ARM project http://www.metabolome.jp/
 34 38  0  0  0  0  0  0  0  0999 V2000
   -1.0861    1.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5298    1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0265    1.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5826    1.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5826    0.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593    0.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7361    0.3661    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7361    1.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593    1.3651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5296    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0265    0.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593   -0.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3124    0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3124   -0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8638   -0.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4151   -0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4151    0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8638    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1900    1.1494    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8438    0.6923    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3452    0.8862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8255    0.8805    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2137    1.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7230    1.0582    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8882    0.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3835    0.6661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0595    0.4066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9961   -1.5443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293   -1.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8882   -1.0293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6612    1.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8306    2.3899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1394    0.9234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8539    0.5109    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22  1  1  0  0  0  0
 15 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 16  1  0  0  0  0
 24 31  1  0  0  0  0
 31 32  1  0  0  0  0
 18 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  35
M  SMT   2  CH2OH
M  SVB   2 35   -2.4653    1.3973
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  33  34
M  SBL   1  1  37
M  SMT   1  OCH3
M  SVB   1 37    3.1394    0.9234
S  SKP  8
ID	FLIB1LGS0001
KNApSAcK_ID	C00010175
NAME	Onogenin 7-O-glucoside;Onoside
CAS_RN	96304-52-8
FORMULA	C23H24O11
EXACTMASS	476.13186161
AVERAGEMASS	476.43006
SMILES	c(O5)(c(OC5)4)cc(c(OC)c4)C(C(=O)1)COc(c2)c1ccc(O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)2
M  END

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