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Mol:FL7AACGL0075 - Revision history
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M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 77 78<br />
M SBL 4 1 84<br />
M SMT 4 CH2OH<br />
M SVB 4 84 -0.3902 -1.8031<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 40 41<br />
M SBL 3 1 42<br />
M SMT 3 CH2OH<br />
M SVB 3 42 -4.3807 -0.3427<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 79 80<br />
M SBL 2 1 86<br />
M SMT 2 OCH3<br />
M SVB 2 86 3.7913 -4.2419<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 75 76<br />
M SBL 1 1 82<br />
M SMT 1 OCH3<br />
M SVB 1 82 4.2942 -2.1078<br />
S SKP 8<br />
ID FL7AACGL0075<br />
KNApSAcK_ID C00006851<br />
NAME Cyanidin 3-(6''-p-coumaryl-2''-sinapylsophoroside)-5-glucoside<br />
CAS_RN 117894-45-8,119722-79-1,110219-77-7<br />
FORMULA C53H57O27<br />
EXACTMASS 1125.308721618<br />
AVERAGEMASS 1126.0034799999999<br />
SMILES O[C@H](C(COC(C=Cc(c8)ccc(c8)O)=O)5)[C@@H](O)[C@@H](O[C@H](O7)[C@H]([C@H]([C@@H](O)C(CO)7)O)OC(=O)C=Cc(c6)cc(c(c6OC)O)OC)[C@H](O5)Oc(c(c(c4)cc(c(O)c4)O)1)cc(c(O[C@H](O3)[C@@H](O)[C@H]([C@@H](O)C(CO)3)O)2)c(cc(c2)O)[o+1]1<br />
M END<br />
</pre></div>
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