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Mol:FL5FECGS0024 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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36 37 1 0 0 0 0<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 30 31<br />
M SBL 4 1 33<br />
M SMT 4 CH2OH<br />
M SVB 4 33 -2.3607 -1.0191<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 36 37<br />
M SBL 3 1 39<br />
M SMT 3 OCH3<br />
M SVB 3 39 2.2612 2.5483<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 34 35<br />
M SBL 2 1 37<br />
M SMT 2 OCH3<br />
M SVB 2 37 0.9505 -1.0028<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 32 33<br />
M SBL 1 1 35<br />
M SMT 1 OCH3<br />
M SVB 1 35 -2.0849 0.1182<br />
S SKP 8<br />
ID FL5FECGS0024<br />
KNApSAcK_ID C00005670<br />
NAME Jaceidin 5-glucoside<br />
CAS_RN 151590-53-3<br />
FORMULA C24H26O13<br />
EXACTMASS 522.137340918<br />
AVERAGEMASS 522.45544<br />
SMILES c(c1OC)c(C(O4)=C(C(c(c43)c(c(OC)c(O)c3)O[C@H](O2)[C@@H](O)[C@H]([C@@H](O)C(CO)2)O)=O)OC)ccc(O)1<br />
M END<br />
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