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Mol:FL7AAIGL0016 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 44 45<br />
M SBL 3 1 48<br />
M SMT 3 CH2OH<br />
M SVB 3 48 -3.949 -0.9183<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 48 49<br />
M SBL 2 1 52<br />
M SMT 2 OCH3<br />
M SVB 2 52 1.3754 0.8877<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 46 47<br />
M SBL 1 1 50<br />
M SMT 1 OCH3<br />
M SVB 1 50 0.8823 2.6521<br />
S SKP 8<br />
ID FL7AAIGL0016<br />
KNApSAcK_ID C00006907<br />
NAME Malvidin 3-(6''-acetylglucoside)-5-glucoside<br />
CAS_RN 164266-06-2<br />
FORMULA C31H37O18<br />
EXACTMASS 697.1979893800001<br />
AVERAGEMASS 697.61468<br />
SMILES O([C@@H](C(O)5)O[C@@H]([C@@H](C5O)O)COC(C)=O)c(c3)c(c(c4)cc(c(O)c4OC)OC)[o+1]c(c31)cc(O)cc1O[C@@H]([C@H]2O)OC([C@H](O)[C@@H]2O)CO<br />
M END<br />
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