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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 144 Samples 0
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3 results for Pattern / motif query
Pattern / motif 3 results DB demo
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Pattern registry Vnos: carboxylic_acid Carboxylic acid
ID 1451 DB demo
2D structure

Z1521554012

ID 1451

O=C(O)c1cc(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O

Formula: C18H14N4O5S

MW: 398.40 | LogP: 3.70

TPSA: 141.31

Patterns:

Carboxylic acid
Detail
ID 2912 DB demo
2D structure

OHD_TbNat_65

ID 2912

O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O

Formula: C18H16O8

MW: 360.32 | LogP: 1.76

TPSA: 144.52

Patterns:

Carboxylic acid
Detail
ID 3332 DB demo
2D structure

OHD_TbNat_16

ID 3332

C[C@@H]1O[C@@H](Oc2cccc3c2C(=O)c2ccc(C[C@@](C)(O)CC(=O)O)c(O)c2C3=O)[C@H](O)[C@H](O)[C@H]1O

Formula: C25H26O11

MW: 502.47 | LogP: 0.14

TPSA: 191.05

Patterns:

Carboxylic acid
Detail