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Mol:FL5FGCGL0001 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
38 41 0 0 0 0 0 0 0 0999 V2000<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 />
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16 35 1 0 0 0 0<br />
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2 37 1 0 0 0 0<br />
37 38 1 0 0 0 0<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 33 34<br />
M SBL 4 1 36<br />
M SMT 4 CH2OH<br />
M SVB 4 36 3.2737 -1.7983<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 37 38<br />
M SBL 3 1 40<br />
M SMT 3 OCH3<br />
M SVB 3 40 -3.3075 -0.6318<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 35 36<br />
M SBL 2 1 38<br />
M SMT 2 OCH3<br />
M SVB 2 38 1.0386 1.7983<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 31 32<br />
M SBL 1 1 34<br />
M SMT 1 OCH3<br />
M SVB 1 34 -1.7587 0.8133<br />
S SKP 8<br />
ID FL5FGCGL0001<br />
KNApSAcK_ID C00005783<br />
NAME Limocitrol 3-glucoside<br />
CAS_RN 77133-42-7<br />
FORMULA C24H26O14<br />
EXACTMASS 538.13225554<br />
AVERAGEMASS 538.45484<br />
SMILES C(O4)(=C(C(c(c43)c(O)c(OC)c(O)c3OC)=O)O[C@H](O2)C(O)C([C@@H](O)[C@@H](CO)2)O)c(c1)cc(OC)c(c1)O<br />
M END<br />
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