Mol:FLIC1LNP0008

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Copyright: ARM project http://www.metabolome.jp/
 27 30  0  0  0  0  0  0  0  0999 V2000
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   -1.4424    0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3298    0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3298    0.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8861    1.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2265   -0.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828    0.3062    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7828    0.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2265    1.2697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3389   -0.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5285   -0.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9337    0.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1233   -1.0451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5550    1.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9337   -2.0451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6244   -0.6323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3709   -0.5356    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  1  2  1  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  2  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  26  27
M  SBL   2  1  29
M  SMT   2  OCH3
M  SVB   2 29    0.6244   -0.6323
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  27
M  SMT   1  OCH3
M  SVB   1 27    1.5163   -1.2166
S  SKP  8
ID	FLIC1LNP0008
KNApSAcK_ID	C00009733
NAME	Sphaerosinin;Spherosinin
CAS_RN	56495-96-6
FORMULA	C22H24O5
EXACTMASS	368.162373878
AVERAGEMASS	368.42296000000005
SMILES	O(c(c(O)4)c(OC)c(cc4)C(C1)COc(c2)c(cc(C=3)c2OC(C)(C)C3)1)C
M  END

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