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Mol:FL7AAHGL0013 - Revision history
2026-05-16T19:07:00Z
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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 53 54<br />
M SBL 2 1 58<br />
M SMT 2 CH2OH<br />
M SVB 2 58 -5.0266 -0.5416<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 55 56<br />
M SBL 1 1 60<br />
M SMT 1 OCH3<br />
M SVB 1 60 -0.1954 3.0289<br />
S SKP 8<br />
ID FL7AAHGL0013<br />
KNApSAcK_ID C00006898<br />
NAME Petunidin 3-(6''-p-coumarylglucoside)-5-glucoside<br />
CAS_RN 51939-66-3<br />
FORMULA C37H39O19<br />
EXACTMASS 787.208554066<br />
AVERAGEMASS 787.69416<br />
SMILES [C@@H]([C@H]1O)([C@H](Oc(c6)c(c(cc6O)4)cc(c(c(c5)cc(OC)c(O)c(O)5)[o+1]4)O[C@H](O2)C(C(O)[C@@H](O)[C@@H](COC(C=Cc(c3)ccc(c3)O)=O)2)O)OC(CO)[C@H](O)1)O<br />
M END<br />
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