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Mol:FL5FECGS0031 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 5 SUP<br />
M SLB 1 5 5<br />
M SAL 5 2 47 48<br />
M SBL 5 1 51<br />
M SMT 5 CH2OH<br />
M SVB 5 51 -3.3712 -1.6205<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 45 46<br />
M SBL 4 1 49<br />
M SMT 4 CH2OH<br />
M SVB 4 49 2.7486 2.5431<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 43 44<br />
M SBL 3 1 47<br />
M SMT 3 OCH3<br />
M SVB 3 47 1.7056 -2.6036<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 45<br />
M SMT 2 OCH3<br />
M SVB 2 45 3.3511 -0.8803<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 43<br />
M SMT 1 OCH3<br />
M SVB 1 43 -1.2753 -0.5001<br />
S SKP 8<br />
ID FL5FECGS0031<br />
KNApSAcK_ID C00005677<br />
NAME Chrysosplenol C 6,4'-diglucoside<br />
CAS_RN 64190-92-7<br />
FORMULA C30H36O18<br />
EXACTMASS 684.190164348<br />
AVERAGEMASS 684.59604<br />
SMILES C([C@H](O1)[C@H](C(C([C@H]1Oc(c(OC)2)ccc(C(=C(OC)5)Oc(c4C5=O)cc(c(c(O)4)O[C@@H]([C@H]3O)OC(CO)[C@@H]([C@@H]3O)O)OC)c2)O)O)O)O<br />
M END<br />
</pre></div>
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