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Mol:FL7AACGL0074 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 50 51<br />
M SBL 2 1 54<br />
M SMT 2 CH2OH<br />
M SVB 2 54 -4.1012 0.8727<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 78 79<br />
M SBL 1 1 85<br />
M SMT 1 OCH3<br />
M SVB 1 85 3.2499 4.5476<br />
S SKP 8<br />
ID FL7AACGL0074<br />
KNApSAcK_ID C00006850<br />
NAME Cyanidin 3-(6''-caffeyl-6'''-ferulylsophoroside)-5-glucoside<br />
CAS_RN 145815-06-1<br />
FORMULA C52H55O27<br />
EXACTMASS 1111.2930715539999<br />
AVERAGEMASS 1111.9769<br />
SMILES Oc(c8)cc(c(c86)cc(c(c(c7)cc(O)c(c7)O)[o+1]6)O[C@H](O2)C(O[C@H]([C@@H]4O)OC(COC(=O)C=Cc(c5)cc(OC)c(c5)O)[C@@H](O)[C@H]4O)C(O)[C@H]([C@H]2COC(=O)C=Cc(c3)ccc(O)c3O)O)O[C@H](O1)[C@H]([C@@H](O)[C@@H](O)C1CO)O<br />
M END<br />
</pre></div>
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