Mol:FL3FAICS0005

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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  41  42
M  SBL   4  1  45
M  SMT   4  CH2OH
M  SVB   4 45   -3.1215   -1.0707
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  39  40
M  SBL   3  1  43
M  SMT   3  CH2OH
M  SVB   3 43   -0.0318    1.4137
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  45  46
M  SBL   2  1  49
M  SMT   2  OCH3
M  SVB   2 49    2.5796     1.019
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  43  44
M  SBL   1  1  47
M  SMT   1  OCH3
M  SVB   1 47    3.1015   -0.7842
S  SKP  8
ID	FL3FAICS0005
KNApSAcK_ID	C00006295
NAME	6,8-Di-C-glucopyranosyltricin
CAS_RN	79504-25-9
FORMULA	C29H34O17
EXACTMASS	654.179599662
AVERAGEMASS	654.57006
SMILES	[C@H](O)([C@@H]1c(c24)c(c([C@H](O5)[C@@H](O)[C@H]([C@H](C5CO)O)O)c(c2C(C=C(O4)c(c3)cc(OC)c(O)c(OC)3)=O)O)O)[C@@H](O)[C@H](C(O1)CO)O
M  END

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