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Mol:FL7AACGL0078 - Revision history
2026-08-18T06:03:14Z
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M STY 1 5 SUP<br />
M SLB 1 5 5<br />
M SAL 5 2 51 52<br />
M SBL 5 1 55<br />
M SMT 5 CH2OH<br />
M SVB 5 55 -4.7389 0.9187<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 83 84<br />
M SBL 4 1 90<br />
M SMT 4 OCH3<br />
M SVB 4 90 4.6524 4.2987<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 81 82<br />
M SBL 3 1 88<br />
M SMT 3 OCH3<br />
M SVB 3 88 -4.2922 -4.5339<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 2.6122 4.5936<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 77 78<br />
M SBL 1 1 84<br />
M SMT 1 OCH3<br />
M SVB 1 84 -3.8295 -2.3975<br />
S SKP 8<br />
ID FL7AACGL0078<br />
KNApSAcK_ID C00006854<br />
NAME Cyanidin 3-(6'',6'''-disinapylsophoroside)-5-glucoside<br />
CAS_RN 110202-93-2<br />
FORMULA C55H61O29<br />
EXACTMASS 1185.32985099<br />
AVERAGEMASS 1186.0554399999999<br />
SMILES Oc(c(OC)1)c(OC)cc(C=CC(OC[C@@H](O4)[C@@H](C(C([C@H](Oc(c7)c(c(c8)ccc(O)c(O)8)[o+1]c(c57)cc(cc5O[C@H](O6)[C@@H](O)[C@@H](O)[C@H](C(CO)6)O)O)4)O[C@H]([C@H](O)2)OC(COC(=O)C=Cc(c3)cc(c(O)c3OC)OC)[C@H]([C@H]2O)O)O)O)=O)c1<br />
M END<br />
</pre></div>
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