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Mol:FL5FECGS0036 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 5 SUP<br />
M SLB 1 5 5<br />
M SAL 5 2 31 32<br />
M SBL 5 1 34<br />
M SMT 5 CH2OH<br />
M SVB 5 34 1.2583 1.8945<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 37 38<br />
M SBL 4 1 40<br />
M SMT 4 OCH3<br />
M SVB 4 40 -2.3151 -0.615<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 35 36<br />
M SBL 3 1 38<br />
M SMT 3 OCH3<br />
M SVB 3 38 0.4662 -2.0824<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 33 34<br />
M SBL 2 1 36<br />
M SMT 2 OCH3<br />
M SVB 2 36 -2.5415 -2.4167<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 2.5415 0.0609<br />
S SKP 8<br />
ID FL5FECGS0036<br />
KNApSAcK_ID C00005683<br />
NAME Casticin 3'-glucoside<br />
CAS_RN 71827-14-0<br />
FORMULA C25H28O13<br />
EXACTMASS 536.152990982<br />
AVERAGEMASS 536.48202<br />
SMILES O(C)c(c3O[C@H](O4)[C@H]([C@@H](O)[C@H](C4CO)O)O)ccc(c3)C(=C2OC)Oc(c1)c(C2=O)c(O)c(OC)c1OC<br />
M END<br />
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