Mol:FL5FEAGL0009

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Copyright: ARM project http://www.metabolome.jp/
 34 38  0  0  0  0  0  0  0  0999 V2000
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 22 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  33  34
M  SBL   1  1  37
M  SMT   1  CH2OH
M  SVB   1 37    3.4107   -1.5103
S  SKP  8
ID	FL5FEAGL0009
KNApSAcK_ID	C00005798
NAME	Gomphrenol 3-glucoside
CAS_RN	121068-97-1
FORMULA	C22H20O12
EXACTMASS	476.095476104
AVERAGEMASS	476.387
SMILES	c(c1)(ccc(C(O5)=C(C(=O)c(c45)c(O)c(c3c4)OCO3)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)c1)O
M  END

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