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Mol:FL7AADGL0019 - 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 52 53<br />
M SBL 2 1 57<br />
M SMT 2 CH2OH<br />
M SVB 2 57 -3.1496 -0.177<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 54 55<br />
M SBL 1 1 59<br />
M SMT 1 OCH3<br />
M SVB 1 59 2.069 2.8432<br />
S SKP 8<br />
ID FL7AADGL0019<br />
KNApSAcK_ID C00006867<br />
NAME Peonidin 3-(6''-p-coumarylglucoside)-5-glucoside<br />
CAS_RN 51939-65-2<br />
FORMULA C37H39O18<br />
EXACTMASS 771.213639444<br />
AVERAGEMASS 771.69476<br />
SMILES [C@@H](O2)([C@@H](C(C(O)[C@H](Oc(c3)c(c(c6)ccc(O)c6OC)[o+1]c(c4)c3c(O[C@@H]([C@@H](O)5)OC([C@H](O)[C@@H]5O)CO)cc(O)4)2)O)O)COC(=O)C=Cc(c1)ccc(c1)O<br />
M END<br />
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