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Mol:FL7AACGL0067 - 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 65 66<br />
M SBL 2 1 71<br />
M SMT 2 CH2OH<br />
M SVB 2 71 -0.3293 -2.3713<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 42<br />
M SMT 1 CH2OH<br />
M SVB 1 42 -4.3198 -0.9109<br />
S SKP 8<br />
ID FL7AACGL0067<br />
KNApSAcK_ID C00006843<br />
NAME Cyanidin 3-(6''-caffeylsophoroside)-5-glucoside<br />
CAS_RN 36618-57-2,164864-59-9,81360-21-6<br />
FORMULA C42H47O24<br />
EXACTMASS 935.245727432<br />
AVERAGEMASS 935.80818<br />
SMILES [C@@H]([C@@H]7O)(O)C(O[C@H]([C@@H](O)7)Oc(c6)c(c5cc6O)cc(c([o+1]5)c(c4)ccc(c4O)O)O[C@H]([C@@H]2O[C@H](O3)[C@H]([C@H]([C@H](C3CO)O)O)O)OC([C@@H](O)[C@H]2O)COC(C=Cc(c1)cc(c(c1)O)O)=O)CO<br />
M END<br />
</pre></div>
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