Mol:FL4DCENI0002

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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    2.0194     0.941
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   -2.5712    0.3186
S  SKP  8
ID	FL4DCENI0002
KNApSAcK_ID	C00008643
NAME	Tirumalin
CAS_RN	74514-46-8
FORMULA	C22H24O7
EXACTMASS	400.152203122
AVERAGEMASS	400.42176000000006
SMILES	c(c1)c(OC)c(cc1[C@H]([C@H]3O)Oc(c(CC=C(C)C)2)c(C3=O)c(O)cc(OC)2)O
M  END

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