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Mol:FL5FFCGL0011 - 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 46 47<br />
M SBL 4 1 50<br />
M SMT 4 CH2OH<br />
M SVB 4 50 2.6403 -0.1338<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 42 43<br />
M SBL 3 1 46<br />
M SMT 3 CH2OH<br />
M SVB 3 46 -0.185 -2.4824<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 44 45<br />
M SBL 2 1 48<br />
M SMT 2 OCH3<br />
M SVB 2 48 1.0858 2.9122<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 44<br />
M SMT 1 OCH3<br />
M SVB 1 44 -1.8559 1.8034<br />
S SKP 8<br />
ID FL5FFCGL0011<br />
KNApSAcK_ID C00005718<br />
NAME Limocitrin 3-sophoroside<br />
CAS_RN 114882-19-8<br />
FORMULA C29H34O18<br />
EXACTMASS 670.174514284<br />
AVERAGEMASS 670.5694599999999<br />
SMILES O[C@H](C5CO)[C@@H](O)[C@@H](O)[C@H](O5)OC([C@@H]1OC(C3=O)=C(c(c4)ccc(O)c(OC)4)Oc(c23)c(c(O)cc(O)2)OC)C([C@@H](O)[C@@H](CO)O1)O<br />
M END<br />
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