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Mol:FL5FEAGL0008 - 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 3.1606 -1.5031<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 -2.5728 -0.924<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 -3.0499 0.8188<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 -3.4071 -0.3509<br />
S SKP 8<br />
ID FL5FEAGL0008<br />
KNApSAcK_ID C00005333<br />
NAME Candidol 3-glucoside<br />
CAS_RN 141304-80-5<br />
FORMULA C24H26O12<br />
EXACTMASS 506.142426296<br />
AVERAGEMASS 506.45604<br />
SMILES OC([C@@H]1OC(=C3c(c4)ccc(c4)O)C(c(c2O3)c(OC)c(OC)c(c2)OC)=O)C([C@@H](O)[C@@H](CO)O1)O<br />
M END<br />
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