Mol:FLIAECGS0005

<pre>

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  45  46
M  SBL   3  1  49
M  SMT   3  CH2OH
M  SVB   3 49    -4.492    2.0735
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  43  44
M  SBL   2  1  47
M  SMT   2  OCH3
M  SVB   2 47    4.4322    -1.661
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   -0.4211   -0.3695
S  SKP  8
ID	FLIAECGS0005
KNApSAcK_ID	C00010148
NAME	Iristectorigenin A 7-O-gentiobioside
CAS_RN	86849-71-0
FORMULA	C29H34O17
EXACTMASS	654.179599662
AVERAGEMASS	654.57006
SMILES	[C@@H](OCC([C@@H]2O)O[C@@H](Oc(c5OC)cc(c3c5O)OC=C(c(c4)cc(c(c4)OC)O)C(=O)3)[C@@H](O)[C@@H](O)2)([C@@H](O)1)OC(CO)[C@H](O)[C@@H]1O
M  END

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