Mol:FL5FGANI0001

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  31  32
M  SBL   3  1  33
M  SMT   3  OCH3
M  SVB   3 33   -2.0423    0.2978
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  29  30
M  SBL   2  1  31
M  SMT   2  OCH3
M  SVB   2 31   -2.3995   -0.8719
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  29
M  SMT   1  OCH3
M  SVB   1 29     0.739   -1.1696
S  SKP  8
ID	FL5FGANI0001
KNApSAcK_ID	C00004933
NAME	Pratensin B
CAS_RN	142609-01-6
FORMULA	C23H24O9
EXACTMASS	444.14203236599997
AVERAGEMASS	444.43126
SMILES	c(c31)(c(O)c(OC)c(c3OC(C(C)CC)=O)OC)C(=O)C(OC)=C(c(c2)ccc(c2)O)O1
M  END

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