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Mol:FL3FCACS0019 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 40 41<br />
M SBL 3 1 44<br />
M SMT 3 CH2OH<br />
M SVB 3 44 -2.4876 0.7576<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 38 39<br />
M SBL 2 1 42<br />
M SMT 2 CH2OH<br />
M SVB 2 42 -3.1515 -1.2909<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 42 43<br />
M SBL 1 1 46<br />
M SMT 1 OCH3<br />
M SVB 1 46 -0.7658 1.5075<br />
S SKP 8<br />
ID FL3FCACS0019<br />
KNApSAcK_ID C00006268<br />
NAME Spinosin<br />
CAS_RN 72063-39-9<br />
FORMULA C28H32O15<br />
EXACTMASS 608.174120354<br />
AVERAGEMASS 608.54468<br />
SMILES C(O)C(O2)[C@H](O)[C@H](O)[C@@H]([C@@H]2c(c5OC)c(c(c(c5)4)C(=O)C=C(O4)c(c3)ccc(c3)O)O)O[C@@H]([C@@H](O)1)OC([C@H](O)[C@@H]1O)CO<br />
M END<br />
</pre></div>
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