Mol:FL2FBCGS0002

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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  39  40
M  SBL   1  1  43
M  SMT   1 CH2OH
M  SBV   1 43   -7.2902    5.1499
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  45
M  SMT   2 ^CH2OH
M  SBV   2 45   -7.6198    5.3025
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  43  44
M  SBL   3  1  47
M  SMT   3 OCH3
M  SBV   3 47   -7.9837    4.4490
S  SKP  8
ID	FL2FBCGS0002
KNApSAcK_ID	C00008438
NAME	5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside
CAS_RN	114454-39-6
FORMULA	C28H34O16
EXACTMASS	626.18468504
AVERAGEMASS	626.55996
SMILES	O(C(OC(C(O)2)C(CO)OC(Oc(c5)cc(OC)c(c54)C(CC(O4)c(c3)ccc(c3O)O)=O)C2O)1)C(CO)C(O)C(C(O)1)O
M  END

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