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Mol:FL7AAIGO0004 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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15 40 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
36 42 1 0 0 0 0<br />
44 45 1 0 0 0 0<br />
13 44 1 0 0 0 0<br />
M CHG 1 10 1<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 45<br />
M SMT 1 OCH3<br />
M SBV 1 45 0.0000 -0.7014<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 42 43<br />
M SBL 2 1 47<br />
M SMT 2 ^ CH2OH<br />
M SBV 2 47 0.5169 -0.5509<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 44 45<br />
M SBL 3 1 49<br />
M SMT 3 OCH3<br />
M SBV 3 49 -0.7563 0.4366<br />
S SKP 5<br />
ID FL7AAIGS0004<br />
FORMULA C29H35O16<br />
EXACTMASS 639.192510072<br />
AVERAGEMASS 639.5785999999999<br />
SMILES Oc(c4)cc(c3c4OC(C(O)5)OC(C(C(O)5)O)CO)[o+1]c(c(c3)OC(O2)C(O)C(O)C(C(C)2)O)c(c1)cc(OC)c(c(OC)1)O<br />
M END<br />
</pre></div>
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