Mol:FL4DCAGS0001

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  43  44
M  SBL   3  1  47
M  SMT   3  CH2OH
M  SVB   3 47   -3.9876    -0.922
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  39  40
M  SBL   2  1  43
M  SMT   2  CH2OH
M  SVB   2 43    3.9431    1.4613
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  41  42
M  SBL   1  1  45
M  SMT   1  OCH3
M  SVB   1 45   -3.3331    0.9543
S  SKP  8
ID	FL4DCAGS0001
KNApSAcK_ID	C00008680
NAME	Micrantoside
CAS_RN	79852-11-2
FORMULA	C28H34O16
EXACTMASS	626.18468504
AVERAGEMASS	626.55996
SMILES	O(c(c5)cc(c(c52)C(=O)[C@@H]([C@@H](c(c3)ccc(O[C@H](O4)C(O)C(O)[C@@H](O)[C@H]4CO)c3)O2)O)O[C@H](O1)[C@H]([C@H]([C@H](C1CO)O)O)O)C
M  END

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