Mol:FL3FGCGS0009

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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  46  47
M  SBL   4  1  49
M  SMT   4  OCH3
M  SVB   4 49   -0.8146    1.4718
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  44  45
M  SBL   3  1  47
M  SMT   3  OCH3
M  SVB   3 47   -3.0078    0.6449
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  42  43
M  SBL   2  1  45
M  SMT   2  OCH3
M  SVB   2 45   -4.4122   -0.5548
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  37  38  39
M  SBL   1  1  40
M  SMT   1  COOH
M  SVB   1 40    3.9701   -1.6678
S  SKP  8
ID	FL3FGCGS0009
KNApSAcK_ID	C00004447
NAME	5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 4'-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
CAS_RN	98891-96-4
FORMULA	C30H34O17
EXACTMASS	666.179599662
AVERAGEMASS	666.58076
SMILES	c(c21)(OC(c(c4)ccc(c(OC)4)O[C@H](O3)C(C([C@@H](O)[C@H]3COC(CC(CC(O)=O)(C)O)=O)O)O)=CC2=O)c(OC)c(c(OC)c1O)O
M  END

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