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Mol:FL3FABCS0006 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 38 39<br />
M SBL 1 1 42<br />
M SMT 1 OCH3<br />
M SBV 1 42 -4.2067 9.4911<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 44<br />
M SMT 2 CH2OH<br />
M SBV 2 44 -4.5838 9.0278<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 42 43<br />
M SBL 3 1 46<br />
M SMT 3 ^CH2OH<br />
M SBV 3 46 -5.2898 9.3874<br />
S SKP 8<br />
ID FL3FABCS0006<br />
KNApSAcK_ID C00006286<br />
NAME 3,6-Di-C-glucopyranosylacacetin<br />
CAS_RN 98891-91-9<br />
FORMULA C28H32O15<br />
EXACTMASS 608.174120354<br />
AVERAGEMASS 608.54468<br />
SMILES C(c(c(O)2)c(c(C3=O)c(OC(c(c5)ccc(OC)c5)=C(C(C(O)4)OC(C(O)C4O)CO)3)c2)O)(O1)C(O)C(C(C1CO)O)O<br />
M END<br />
</pre></div>
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