Mol:FL3FABCS0006

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  38  39
M  SBL   1  1  42
M  SMT   1 OCH3
M  SBV   1 42   -4.2067    9.4911
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  40  41
M  SBL   2  1  44
M  SMT   2 CH2OH
M  SBV   2 44   -4.5838    9.0278
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  42  43
M  SBL   3  1  46
M  SMT   3 ^CH2OH
M  SBV   3 46   -5.2898    9.3874
S  SKP  8
ID	FL3FABCS0006
KNApSAcK_ID	C00006286
NAME	3,6-Di-C-glucopyranosylacacetin
CAS_RN	98891-91-9
FORMULA	C28H32O15
EXACTMASS	608.174120354
AVERAGEMASS	608.54468
SMILES	C(c(c(O)2)c(c(C3=O)c(OC(c(c5)ccc(OC)c5)=C(C(C(O)4)OC(C(O)C4O)CO)3)c2)O)(O1)C(O)C(C(C1CO)O)O
M  END

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