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Mol:FLIAAAGS0004 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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41 42 1 0 0 0 0<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 CH2OH<br />
M SVB 2 45 -4.4041 1.7958<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 CH2OH<br />
M SVB 1 43 3.8921 -1.3833<br />
S SKP 8<br />
ID FLIAAAGS0004<br />
KNApSAcK_ID C00010106<br />
NAME Genistein 7,4'-di-O-glucoside<br />
CAS_RN 36190-98-4<br />
FORMULA C27H30O15<br />
EXACTMASS 594.15847029<br />
AVERAGEMASS 594.5181<br />
SMILES C(=C3c(c5)ccc(c5)O[C@H](O4)C(O)C(O)[C@@H](O)[C@H]4CO)Oc(c(C(=O)3)2)cc(cc2O)O[C@@H]([C@@H](O)1)OC(CO)[C@H](O)[C@@H]1O<br />
M END<br />
</pre></div>
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