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Mol:FLIAECGS0006 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
36 39 0 0 0 0 0 0 0 0999 V2000<br />
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2 10 1 0 0 0 0<br />
10 11 2 0 0 0 0<br />
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10 33 1 0 0 0 0<br />
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17 35 1 0 0 0 0<br />
35 36 1 0 0 0 0<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 29 30<br />
M SBL 4 1 32<br />
M SMT 4 CH2OH<br />
M SVB 4 32 -3.4743 1.5785<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 35 36<br />
M SBL 3 1 38<br />
M SMT 3 OCH3<br />
M SVB 3 38 3.4146 -0.0048<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 33 34<br />
M SBL 2 1 36<br />
M SMT 2 OCH3<br />
M SVB 2 36 -1.796 0.1255<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 31 32<br />
M SBL 1 1 34<br />
M SMT 1 OCH3<br />
M SVB 1 34 3.0573 -1.166<br />
S SKP 8<br />
ID FLIAECGS0006<br />
KNApSAcK_ID C00010149<br />
NAME Junipegenin B 7-O-glucoside<br />
CAS_RN 86849-69-6<br />
FORMULA C24H26O12<br />
EXACTMASS 506.142426296<br />
AVERAGEMASS 506.45604<br />
SMILES c(c1)c(c(OC)cc1C(C(=O)4)=COc(c42)cc(O[C@@H]([C@H]3O)OC(CO)[C@H](O)[C@@H]3O)c(c2O)OC)OC<br />
M END<br />
</pre></div>
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