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Mol:FL5FEAGS0016 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 35 36<br />
M SBL 4 1 38<br />
M SMT 4 CH2OH<br />
M SVB 4 38 3.1917 1.0801<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 33 34<br />
M SBL 3 1 36<br />
M SMT 3 OCH3<br />
M SVB 3 36 -0.568 -1.6763<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 31 32<br />
M SBL 2 1 34<br />
M SMT 2 OCH3<br />
M SVB 2 34 -3.5489 0.4166<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 29 30<br />
M SBL 1 1 32<br />
M SMT 1 OCH3<br />
M SVB 1 32 -3.9061 -0.753<br />
S SKP 8<br />
ID FL5FEAGS0016<br />
KNApSAcK_ID C00005332<br />
NAME Pendulin<br />
CAS_RN 14801-84-4<br />
FORMULA C24H26O12<br />
EXACTMASS 506.142426296<br />
AVERAGEMASS 506.45604<br />
SMILES O(C)c(c4OC)c(c(c1c4)C(C(OC)=C(c(c3)ccc(c3)O[C@@H](C(O)2)O[C@@H]([C@H](O)C(O)2)CO)O1)=O)O<br />
M END<br />
</pre></div>
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