Mol:FL3FABDS0002

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Copyright: ARM project http://www.metabolome.jp/
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  1 12  1  0  0  0  0
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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 CH2OH
M  SBV   1 42   -5.2620    5.9293
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  40  41
M  SBL   2  1  44
M  SMT   2 OCH3
M  SBV   2 44   -5.3720    5.8658
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   -6.3563    6.3118
S  SKP  8
ID	FL3FABDS0002
KNApSAcK_ID	C00006279
NAME	Cytisoside 7-O-glucoside
CAS_RN	18456-23-0
FORMULA	C28H32O15
EXACTMASS	608.174120354
AVERAGEMASS	608.54468
SMILES	C(C(O)5)(O)C(O)C(OC(CO)5)c(c12)c(OC(C(O)4)OC(CO)C(O)C4O)cc(O)c1C(=O)C=C(c(c3)ccc(OC)c3)O2
M  END

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