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Mol:FL7AAGGL0027 - Revision history
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M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 3 67 68 69<br />
M SBL 1 1 73<br />
M SMT 1 COOH<br />
M SVB 1 73 -4.2157 2.8863<br />
S SKP 8<br />
ID FL7AAGGL0027<br />
KNApSAcK_ID C00006892<br />
NAME Delphinidin 3-(6'',6'''-di-p-coumarylsophoroside)-5-(6-malonylglucoside)<br />
CAS_RN 176260-02-9<br />
FORMULA C54H55O29<br />
EXACTMASS 1167.282900798<br />
AVERAGEMASS 1167.9971<br />
SMILES [C@H]([C@@H](O)1)(Oc(c8)c(c3)c(cc8O)[o+1]c(c(O[C@H](O6)C(C([C@@H](O)[C@@H](COC(=O)C=Cc(c7)ccc(O)c7)6)O)O[C@H]([C@H](O)4)OC(COC(=O)C=Cc(c5)ccc(O)c5)[C@H]([C@H]4O)O)3)c(c2)cc(c(O)c2O)O)OC([C@H](O)[C@@H]1O)COC(CC(O)=O)=O<br />
M END<br />
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