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Mol:FL3FCCDS0001 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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3 12 1 0 0 0 0<br />
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15 16 2 0 0 0 0<br />
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17 18 2 0 0 0 0<br />
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41 42 1 0 0 0 0<br />
1 41 1 0 0 0 0<br />
43 44 1 0 0 0 0<br />
35 43 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 44<br />
M SMT 1 ^ CH2OH<br />
M SBV 1 44 0.5186 -0.4999<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 46<br />
M SMT 2 ^ OCH3<br />
M SBV 2 46 0.4588 -0.7947<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 43 44<br />
M SBL 3 1 48<br />
M SMT 3 ^ CH2OH<br />
M SBV 3 48 0.4298 -0.7782<br />
S SKP 5<br />
ID FL3FCCDS0001<br />
FORMULA C28H32O16<br />
EXACTMASS 624.1690349759999<br />
AVERAGEMASS 624.54408<br />
SMILES O(C(C(O)5)OC(C(C5O)O)CO)c(c1)c(ccc1C(O2)=CC(c(c(O)3)c2cc(OC)c3C(O4)C(C(C(C4CO)O)O)O)=O)O<br />
M END<br />
</pre></div>
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