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Mol:FL5FECGS0033 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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6 1 2 0 0 0 0<br />
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10 5 1 0 0 0 0<br />
7 11 2 0 0 0 0<br />
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12 13 2 0 0 0 0<br />
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32 33 1 0 0 0 0<br />
15 34 1 0 0 0 0<br />
34 35 1 0 0 0 0<br />
25 36 1 0 0 0 0<br />
36 37 1 0 0 0 0<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 36 37<br />
M SBL 4 1 39<br />
M SMT 4 CH2OH<br />
M SVB 4 39 0.665 2.3356<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 34 35<br />
M SBL 3 1 37<br />
M SMT 3 OCH3<br />
M SVB 3 37 2.254 0.3022<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 32 33<br />
M SBL 2 1 35<br />
M SMT 2 OCH3<br />
M SVB 2 35 -2.7696 -0.5289<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 30 31<br />
M SBL 1 1 33<br />
M SMT 1 OCH3<br />
M SVB 1 33 0.2112 -2.6324<br />
S SKP 8<br />
ID FL5FECGS0033<br />
KNApSAcK_ID C00005679<br />
NAME Oxyayanin B 3'-glucoside<br />
CAS_RN 71827-12-8<br />
FORMULA C24H26O13<br />
EXACTMASS 522.137340918<br />
AVERAGEMASS 522.45544<br />
SMILES COc(c4O)cc(O1)c(c4O)C(C(OC)=C1c(c2)ccc(OC)c2O[C@H](O3)[C@H]([C@@H](O)[C@H](C3CO)O)O)=O<br />
M END<br />
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