Mol:FL7AACGL0062

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FL7AACGL0062.png 

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M  CHG  1  10   1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  78  79
M  SBL   1  1  86
M  SMT   1  OCH3
M  SBV   1  86   -0.4032   -0.6984
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  80  81  82
M  SBL   2  1  89
M  SMT   2  COOH
M  SBV   2  89    0.0000   -0.7041
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  83  84
M  SBL   3  1  91
M  SMT   3  OCH3
M  SBV   3  91   -0.6139    0.6139
S  SKP  5
ID	FL7AACGL0062
FORMULA	C55H57O29
EXACTMASS	1181.298550862
AVERAGEMASS	1182.02368
SMILES	c(c(O)7)c([o+1]1)c(c(OC(C(O)8)OC(C(O)C(O)8)COC(CC(O)=O)=O)c7)cc(OC(C(OC(C5OC(=O)C=Cc(c6)cc(OC)c(O)c(OC)6)OCC(C(O)5)O)3)OC(COC(C=Cc(c4)ccc(c4)O)=O)C(C3O)O)c1c(c2)cc(O)c(O)c2
M  END

</pre>

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