Mol:FL5FECGS0023

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  36  37
M  SBL   4  1  39
M  SMT   4  CH2OH
M  SVB   4 39    3.2844    1.0986
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  34  35
M  SBL   3  1  37
M  SMT   3  OCH3
M  SVB   3 37   -0.8604   -1.1229
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  OCH3
M  SVB   2 35   -3.9989   -0.8252
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   -3.6417    0.3444
S  SKP  8
ID	FL5FECGS0023
KNApSAcK_ID	C00005669
NAME	Chrysosplenoside D
CAS_RN	25321-00-0
FORMULA	C24H26O13
EXACTMASS	522.137340918
AVERAGEMASS	522.45544
SMILES	O(C)c(c4OC)c(O)c(c3c4)C(C(OC)=C(O3)c(c1)ccc(O[C@@H](C2O)O[C@@H]([C@@H](C2O)O)CO)c1O)=O
M  END

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