Mol:FL4DCENI0001

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  28  29
M  SBL   2  1  30
M  SMT   2  OCH3
M  SVB   2 30     2.799    1.0708
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  28
M  SMT   1  OCH3
M  SVB   1 28   -1.7916    0.4484
S  SKP  8
ID	FL4DCENI0001
KNApSAcK_ID	C00008642
NAME	Isotirumalin
CAS_RN	119736-72-0
FORMULA	C22H24O7
EXACTMASS	400.152203122
AVERAGEMASS	400.42176000000006
SMILES	O(C)c(c3CC=C(C)C)cc(c2c3O)O[C@@H]([C@H](C(=O)2)O)c(c1)cc(c(OC)c1)O
M  END

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