Mol:FL3FEAGS0015

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Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
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   -0.7473    1.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9040    2.4370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4543    2.8508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8790    3.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2202    4.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7430    4.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6848    1.7296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1858    0.2733    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -1.9277   -0.1186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2112   -0.1109    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -3.7623   -0.0596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5023   -0.8328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6427    0.7508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3851    0.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0465    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4590    1.5696    0.0000 O   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
 15 19  1  0  0  0  0
 20  3  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 18  1  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  CH2OH
M  SVB   2 35   -2.6911     1.023
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   -0.5863   -0.3027
S  SKP  8
ID	FL3FEAGS0015
KNApSAcK_ID	C00004231
NAME	Hispidulin 7-glucoside
CAS_RN	17680-84-1
FORMULA	C22H22O11
EXACTMASS	462.116211546
AVERAGEMASS	462.40348000000006
SMILES	COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(c2)O)=C1
M  END

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