Mol:FL5FECGS0016

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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  34
M  SMT   3  CH2OH
M  SVB   3 34   -3.1259   -0.9105
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  35  36
M  SBL   2  1  38
M  SMT   2  OCH3
M  SVB   2 38    1.6686    -0.873
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  33  34
M  SBL   1  1  36
M  SMT   1  OCH3
M  SVB   1 36   -0.9062    0.7846
S  SKP  8
ID	FL5FECGS0016
KNApSAcK_ID	C00005658
NAME	Tomentin 6-glucoside
CAS_RN	64190-90-5
FORMULA	C23H24O13
EXACTMASS	508.121690854
AVERAGEMASS	508.42886
SMILES	O=C(C(OC)=3)c(c(O)1)c(OC3c(c4)ccc(c4O)O)cc(OC)c1O[C@H](O2)[C@@H](O)[C@H]([C@H](C(CO)2)O)O
M  END

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