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Mol:FL5FECGS0029 - 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 36 37<br />
M SBL 4 1 39<br />
M SMT 4 CH2OH<br />
M SVB 4 39 -3.4219 0.4458<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 34 35<br />
M SBL 3 1 37<br />
M SMT 3 OCH3<br />
M SVB 3 37 3.5254 1.1331<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 32 33<br />
M SBL 2 1 35<br />
M SMT 2 OCH3<br />
M SVB 2 35 -1.5508 -1.3589<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 30 31<br />
M SBL 1 1 33<br />
M SMT 1 OCH3<br />
M SVB 1 33 1.4569 -1.0246<br />
S SKP 8<br />
ID FL5FECGS0029<br />
KNApSAcK_ID C00005675<br />
NAME Centaurein<br />
CAS_RN 35595-03-0<br />
FORMULA C24H26O13<br />
EXACTMASS 522.137340918<br />
AVERAGEMASS 522.45544<br />
SMILES c(c4O)(C2=O)c(cc(c4OC)O[C@@H]([C@H]3O)OC(CO)[C@H](O)[C@@H]3O)OC(=C(OC)2)c(c1)ccc(c1O)OC<br />
M END<br />
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