CHEBI:105451 - 5-[(4-chlorophenyl)-oxomethyl]-4-hydroxy-6-[5-(2-nitrophenyl)-2-furanyl]-4-(trifluoromethyl)-1,3-diazinan-2-one

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ChEBI Name 5-[(4-chlorophenyl)-oxomethyl]-4-hydroxy-6-[5-(2-nitrophenyl)-2-furanyl]-4-(trifluoromethyl)-1,3-diazinan-2-one
ChEBI ID CHEBI:105451
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H15ClF3N3O6
Net Charge 0
Average Mass 509.820
Monoisotopic Mass 509.06015
InChI InChI=1S/C22H15ClF3N3O6/c23-12-7-5-11(6-8-12)19(30)17-18(27-20(31)28-21(17,32)22(24,25)26)16-10-9-15(35-16)13-3-1-2-4-14(13)29(33)34/h1-10,17-18,32H,(H2,27,28,31)
InChIKey VPRXUYOVNXDRRE-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)C2=CC=C(O2)C3C(C(NC(=O)N3)(C(F)(F)F)O)C(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via diarylheptanoid )
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ChEBI Ontology
Outgoing 5-[(4-chlorophenyl)-oxomethyl]-4-hydroxy-6-[5-(2-nitrophenyl)-2-furanyl]-4-(trifluoromethyl)-1,3-diazinan-2-one (CHEBI:105451) is a diarylheptanoid (CHEBI:78802)
Manual Xref Database
LSM-16814 LINCS
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