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Mol:FL7AACGL0014 - Revision history
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<p><b>New page</b></p><div><pre><br />
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Copyright: ARM project http://www.metabolome.jp/<br />
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24 40 1 0 0 0 0<br />
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34 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 -7.5297 5.0366<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 -7.5297 5.0366<br />
S SKP 8<br />
ID FL7AACGL0014<br />
KNApSAcK_ID C00006669<br />
NAME Cyanidin 3,4'-diglucoside<br />
CAS_RN 27459-78-5<br />
FORMULA C27H31O16<br />
EXACTMASS 611.161209944<br />
AVERAGEMASS 611.52544<br />
SMILES O(C(O5)C(C(C(O)C(CO)5)O)O)c(c1)c(cc(c([o+1]2)c(OC(O4)C(C(O)C(C4CO)O)O)cc(c3O)c2cc(O)c3)c1)O<br />
M END<br />
</pre></div>
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