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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 144 Samples 0
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2 results for Pattern / motif query
Pattern / motif 2 results DB demo
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Pattern registry Vnos: alkyne Alkyne
ID 5377 DB demo
2D structure

TC64

ID 5377

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O2

MW: 416.61 | LogP: 5.74

TPSA: 37.30

Patterns:

Alkyne
Detail
ID 5383 DB demo
2D structure

TC152

ID 5383

COc1ccc(C#CC(=O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1

Formula: C29H36O3

MW: 432.60 | LogP: 5.56

TPSA: 46.53

Patterns:

Alkyne
Detail