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Mol:FL1AACGS0005 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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14 15 2 0 0 0 0<br />
15 16 1 0 0 0 0<br />
16 17 2 0 0 0 0<br />
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15 18 1 0 0 0 0<br />
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25 40 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
36 42 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 44<br />
M SMT 1 ^CH2OH<br />
M SBV 1 44 -6.9857 6.6630<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 42 43<br />
M SBL 2 1 46<br />
M SMT 2 ^CH2OH<br />
M SBV 2 46 -6.9857 6.6630<br />
S SKP 8<br />
ID FL1AACGS0005<br />
KNApSAcK_ID C00008049<br />
NAME Aureusidin 4,6-diglucoside<br />
CAS_RN 89648-26-0<br />
FORMULA C27H30O16<br />
EXACTMASS 610.153384912<br />
AVERAGEMASS 610.5175<br />
SMILES c(c(C=c(o5)c(c(c45)c(cc(c4)OC(C3O)OC(CO)C(C(O)3)O)OC(C2O)OC(CO)C(C2O)O)=O)1)c(c(O)cc1)O<br />
M END<br />
</pre></div>
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