Mol:FL3FADCS0010

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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   -3.3301   -1.2909
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  45
M  SMT   2  CH2OH
M  SVB   2 45   -2.6662    0.7576
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  39  40
M  SBL   1  1  43
M  SMT   1  OCH3
M  SVB   1 43    3.7189    1.1067
S  SKP  8
ID	FL3FADCS0010
KNApSAcK_ID	C00006272
NAME	Isoscoparin 2''-O-glucoside
CAS_RN	97605-25-9
FORMULA	C28H32O16
EXACTMASS	624.1690349759999
AVERAGEMASS	624.54408
SMILES	COc(c(O)5)cc(cc5)C(=C4)Oc(c1)c(C4=O)c(c([C@H](O2)[C@@H](O[C@H](O3)[C@@H](O)[C@@H](O)[C@@H](O)C3CO)[C@@H](O)[C@@H](O)C2CO)c(O)1)O
M  END

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