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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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1 results for Pattern / motif query
Pattern / motif 1 results DB Docking_panel_21
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Pattern registry Vnos: epoxy_warhead Epoxide warhead
ID 184 DB Docking_panel_21
2D structure

OHD_TbNat_104

ID 184

CC(C)=CC[C@@]12O[C@@H]1C(=O)c1c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O

Formula: C21H24O10

MW: 436.41 | LogP: -0.56

TPSA: 166.28

Patterns:

Epoxide warhead
Detail