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Mol:FL7AADGL0021 - Revision history
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M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 65 66<br />
M SBL 3 1 71<br />
M SMT 3 CH2OH<br />
M SVB 3 71 -3.6613 1.2838<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 63 64<br />
M SBL 2 1 69<br />
M SMT 2 CH2OH<br />
M SVB 2 69 3.6563 0.6447<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 61 62<br />
M SBL 1 1 67<br />
M SMT 1 OCH3<br />
M SVB 1 67 1.3773 4.319<br />
S SKP 8<br />
ID FL7AADGL0021<br />
KNApSAcK_ID C00006869<br />
NAME Peonidin 3-p-coumarylsophoroside-5-glucoside<br />
CAS_RN 38718-99-9<br />
FORMULA C43H49O23<br />
EXACTMASS 933.266462874<br />
AVERAGEMASS 933.83536<br />
SMILES O([C@@H]6COC(=O)C=Cc(c7)ccc(c7)O)[C@H](C(C([C@@H](O)6)O)O[C@@H](O5)[C@H](O)[C@@H]([C@@H](C(CO)5)O)O)Oc(c4)c([o+1]c(c42)cc(cc(O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)2)O)c(c1)ccc(O)c1OC<br />
M END<br />
</pre></div>
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