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Mol:FL5FFCGS0022 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
39 42 0 0 0 0 0 0 0 0999 V2000<br />
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38 39 1 0 0 0 0<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 38 39<br />
M SBL 2 1 41<br />
M SMT 2 OCH3<br />
M SVB 2 41 0.4668 0.4408<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 36 37<br />
M SBL 1 1 39<br />
M SMT 1 OCH3<br />
M SVB 1 39 3.4085 1.5496<br />
S SKP 8<br />
ID FL5FFCGS0022<br />
KNApSAcK_ID C00006036<br />
NAME Limocitrin 7-(6''-acetylglucoside)<br />
CAS_RN 97744-93-9<br />
FORMULA C25H26O14<br />
EXACTMASS 550.13225554<br />
AVERAGEMASS 550.4655399999999<br />
SMILES O(c31)C(c(c4)cc(c(c4)O)OC)=C(O)C(=O)c1c(cc(c3OC)O[C@@H]([C@H]2O)OC([C@@H]([C@@H]2O)O)COC(C)=O)O<br />
M END<br />
</pre></div>
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