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Mol:FL7AADGL0023 - Revision history
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M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 65 66<br />
M SBL 4 1 71<br />
M SMT 4 CH2OH<br />
M SVB 4 71 3.9633 0.5103<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 63 64<br />
M SBL 3 1 69<br />
M SMT 3 CH2OH<br />
M SVB 3 69 -3.2539 1.6001<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 67 68<br />
M SBL 2 1 73<br />
M SMT 2 OCH3<br />
M SVB 2 73 -2.8886 -4.2228<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 1.7846 4.6353<br />
S SKP 8<br />
ID FL7AADGL0023<br />
KNApSAcK_ID C00006871<br />
NAME Peonidin 3-ferulyldiglucoside-5-glucoside<br />
CAS_RN 144093-82-3<br />
FORMULA C44H51O24<br />
EXACTMASS 963.27702756<br />
AVERAGEMASS 963.86134<br />
SMILES c(c(OC)7)c(ccc7O)C=CC(=O)OC[C@H]([C@H](O)1)O[C@@H](Oc(c(c(c6)cc(OC)c(O)c6)5)cc(c([o+1]5)4)c(cc(c4)O)O[C@H](O3)[C@H]([C@@H](O)[C@@H](O)C3CO)O)C(O[C@@H](O2)[C@@H]([C@@H]([C@@H](C2CO)O)O)O)C1O<br />
M END<br />
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