Mol:FL5FAFGL0003

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  41  42
M  SBL   4  1  45
M  SMT   4  CH2OH
M  SVB   4 45    4.2076   -1.3676
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  39  40
M  SBL   3  1  43
M  SMT   3  CH2OH
M  SVB   3 43   -4.1564    0.3303
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  45  46
M  SBL   2  1  49
M  SMT   2  OCH3
M  SVB   2 49    2.4567    1.7801
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  43  44
M  SBL   1  1  47
M  SMT   1  OCH3
M  SVB   1 47     3.307    1.2039
S  SKP  8
ID	FL5FAFGL0003
KNApSAcK_ID	C00005621
NAME	Dillenetin 3,7-diglucoside;Quercetin 3',4'-dimethyl ether 3,7-diglucoside;2-(3,4-Dimethoxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
CAS_RN	141852-52-0
FORMULA	C29H34O17
EXACTMASS	654.179599662
AVERAGEMASS	654.57006
SMILES	c(c43)(cc(O[C@H](O5)[C@@H](O)[C@@H](O)[C@@H](O)C(CO)5)cc4O)OC(=C(C3=O)O[C@H](O2)C(O)C([C@@H](O)[C@H]2CO)O)c(c1)ccc(c(OC)1)OC
M  END

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