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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: acetal Acetal
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:

Acetal
Detail
ID 3836 DB demo
2D structure

OHD_Babesia_21

ID 3836

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@@H](C)O1)C[C@@](O)(C(=O)CO)C3

Formula: C27H29NO11

MW: 543.53 | LogP: 0.00

TPSA: 206.07

Patterns:

Acetal
Detail
ID 3958 DB demo
2D structure

ulfkktlib_1132

ID 3958

CC1(C)OC(=O)C(C(=O)CNC(=O)CNC(=O)OCc2ccccc2)C(=O)O1

Formula: C18H20N2O8

MW: 392.36 | LogP: 0.05

TPSA: 137.10

Patterns:

Acetal
Detail