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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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3 results for Pattern / motif query
Pattern / motif 3 results DB fairmol
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Pattern registry Vnos: epoxy_warhead Epoxide warhead
ID 579 DB fairmol
2D structure

OHD_TbNat_104

ID 579

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
ID 3839 DB fairmol
2D structure

OHD_TbNat_103

ID 3839

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

Formula: C15H16O5

MW: 276.29 | LogP: 1.82

TPSA: 90.29

Patterns:

Epoxide warhead
Detail
ID 4230 DB fairmol
2D structure

OHD_TbNat_103

ID 4230

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

Formula: C15H16O5

MW: 276.29 | LogP: 1.82

TPSA: 90.29

Patterns:

Epoxide warhead
Detail