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Mol:FLIF1LGF0004 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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16 17 1 0 0 0 0<br />
17 18 1 0 0 0 0<br />
18 19 1 0 0 0 0<br />
19 14 1 0 0 0 0<br />
12 20 1 0 0 0 0<br />
20 21 2 0 0 0 0<br />
21 15 1 0 0 0 0<br />
16 22 2 0 0 0 0<br />
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39 40 1 0 0 0 0<br />
25 41 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 39 40<br />
M SBL 4 1 44<br />
M SMT 4 CH2OH<br />
M SVB 4 44 -3.3227 2.4649<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 37 38<br />
M SBL 3 1 42<br />
M SMT 3 CH2OH<br />
M SVB 3 42 -0.1395 2.1162<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 46<br />
M SMT 2 OCH3<br />
M SVB 2 46 2.5258 -2.0962<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 35 36<br />
M SBL 1 1 40<br />
M SMT 1 OCH3<br />
M SVB 1 40 3.7101 -1.825<br />
S SKP 8<br />
ID FLIF1LGF0004<br />
KNApSAcK_ID C00010179<br />
NAME Amorphigenol O-glucoside<br />
CAS_RN 29360-13-2<br />
FORMULA C29H34O13<br />
EXACTMASS 590.199941174<br />
AVERAGEMASS 590.57246<br />
SMILES [C@H](O6)([C@@H](O)[C@@H](O)[C@H](C6CO)O)OC(C(O1)Cc(c25)c1ccc(C(C(C(O5)3)c(c4)c(cc(OC)c4OC)OC3)=O)2)(CO)C<br />
M END<br />
</pre></div>
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