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Mol:FL1C1AGS0005 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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25 38 1 0 0 0 0<br />
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34 40 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 43<br />
M SMT 2 CH2OH<br />
M SVB 2 43 -3.6659 0.102<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 38 39<br />
M SBL 1 1 41<br />
M SMT 1 CH2OH<br />
M SVB 1 41 3.1047 1.7261<br />
S SKP 8<br />
ID FL1C1AGS0005<br />
KNApSAcK_ID C00007187<br />
NAME Isoliquiritigenin 4,4'-diglucoside<br />
CAS_RN 69262-36-8<br />
FORMULA C27H32O14<br />
EXACTMASS 580.179205732<br />
AVERAGEMASS 580.53458<br />
SMILES [C@H]([C@@H](O)4)(CO)O[C@@H](C(O)C(O)4)Oc(c1)ccc(C=CC(c(c(O)2)ccc(O[C@@H]([C@H]3O)OC([C@H](O)[C@@H]3O)CO)c2)=O)c1<br />
M END<br />
</pre></div>
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