Mol:FLIAECGS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
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 17 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  30  31
M  SBL   3  1  33
M  SMT   3  CH2OH
M  SVB   3 33   -3.4743    1.4283
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  34  35
M  SBL   2  1  37
M  SMT   2  OCH3
M  SVB   2 37    3.4146    -0.155
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  35
M  SMT   1  OCH3
M  SVB   1 35    -1.796   -0.0247
S  SKP  8
ID	FLIAECGS0003
KNApSAcK_ID	C00010132
NAME	Iristectorigenin B 7-O-glucoside;Iristectorin B
CAS_RN	94396-09-5
FORMULA	C23H24O12
EXACTMASS	492.126776232
AVERAGEMASS	492.42946
SMILES	COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(C1=O)c(c3)OC=C(c(c2)cc(c(c2)O)OC)1)O
M  END

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