CHEBI:102898 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

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ChEBI Name 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid ChEBI ID CHEBI:102898 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H21F3N2O6 Net Charge 0 Average Mass 466.408 Monoisotopic Mass 466.13517 InChI InChI=1S/C22H21F3N2O6/c23-22(24,25)11-1-3-12(4-2-11)26-21(31)27-13-5-6-17-15(7-13)16-8-14(9-19(29)30)32-18(10-28)20(16)33-17/h1-7,14,16,18,20,28H,8-10H2,(H,29,30)(H2,26,27,31)/t14-,16-,18-,20+/m1/s1 InChIKey RRHNJWQDAKAZMZ-ODZKNYGOSA-N SMILES C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)O ChEBI Ontology Outgoing 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:102898) is a ureas (CHEBI:47857) Manual Xref Database LSM-14244 LINCS View more database links