Mol:FL3FCACS0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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  8 18  2  0  0  0  0
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 32 33  1  0  0  0  0
 15 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  CH2OH
M  SVB   2 35   -0.6386    1.5397
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  34  35
M  SBL   1  1  37
M  SMT   1  OCH3
M  SVB   1 37   -2.3837   -0.1272
S  SKP  8
ID	FL3FCACS0006
KNApSAcK_ID	C00006160
NAME	Isoswertisin 2''-acetate
CAS_RN	51693-99-3
FORMULA	C24H24O11
EXACTMASS	488.13186161
AVERAGEMASS	488.44076
SMILES	c(c3OC)c(c(c(c3[C@H](O4)[C@@H](OC(C)=O)[C@@H](O)[C@H](C(CO)4)O)2)C(C=C(O2)c(c1)ccc(c1)O)=O)O
M  END

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