Mol:FL6F1GGS0001

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Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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   -3.3027   -0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2667   -0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2307   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7487    0.0646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9043   -0.3232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7127    0.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1904   -0.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3319    0.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3319    0.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2527   -0.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7720   -1.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1975   -0.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5959   -0.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4981   -0.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9328   -0.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5519   -0.9719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1904    1.5715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062   -1.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207   -1.5715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8534    0.9688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5679    0.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  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
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 20 11  1  0  0  0  0
 16 28  1  0  0  0  0
 14 11  1  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
 15 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1 CH2OH
M  SBV   1 32   -8.9250    6.0432
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  34
M  SMT   2 OCH3
M  SBV   2 34   -8.7376    6.4604
S  SKP  8
ID	FL6F1GGS0001
KNApSAcK_ID	C00008764
NAME	Auriculoside
CAS_RN	75871-96-4
FORMULA	C22H26O10
EXACTMASS	450.152597052
AVERAGEMASS	450.43584
SMILES	OC(C1O)C(Oc(c2)c(OC)c(cc(C(C4)Oc(c(C4)3)cc(O)cc3)2)O)OC(CO)C1O
M  END

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