2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:122916)

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CHEBI:122916 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

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ChEBI ID	CHEBI:122916
ChEBI Name	2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
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Downloads	Molfile

Formula	C30H28F3N3O7
Net Charge	0
Average Mass	599.562
Monoisotopic Mass	599.18793
SMILES	O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc2c(c1)OCO2
InChI	InChI=1S/C30H28F3N3O7/c31-30(32,33)17-2-4-18(5-3-17)35-29(39)36-19-6-8-23-21(10-19)22-11-20(42-26(14-37)28(22)43-23)12-27(38)34-13-16-1-7-24-25(9-16)41-15-40-24/h1-10,20,22,26,28,37H,11-15H2,(H,34,38)(H2,35,36,39)/t20-,22+,26+,28-/m1/s1
InChIKey	DCKQIPUZKHPVQM-HAGKMHAYSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:122916) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-34359	LINCS