Mol:FL3FGGNS0002

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Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
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   -3.9189   -1.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1121   -2.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795   -2.8265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0902   -1.1486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6017   -4.0743    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  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 16 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  27  28
M  SBL   4  1  29
M  SMT   4  OCH3
M  SVB   4 29   -1.4067    0.8184
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  27
M  SMT   3  OCH3
M  SVB   3 27     2.241    1.2272
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25    1.8838     0.039
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23   -2.9555   -0.6267
S  SKP  8
ID	FL3FGGNS0002
KNApSAcK_ID	C00003971
NAME	Scaposin
CAS_RN	18398-74-8
FORMULA	C19H18O9
EXACTMASS	390.095082174
AVERAGEMASS	390.34082
SMILES	c(c(OC)1)(OC)cc(C(O2)=CC(c(c3O)c2c(c(c3OC)O)OC)=O)cc1O
M  END

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