N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide (CHEBI:101531)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:101531 - N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide

Take structure to advanced search

ChEBI ID	CHEBI:101531
ChEBI Name	N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
Stars
Downloads	Molfile

Formula	C24H33N3O5
Net Charge	0
Average Mass	443.544
Monoisotopic Mass	443.24202
SMILES	CN1CCN(C(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@@H]3[C@@H](CO)O2)CC1
InChI	InChI=1S/C24H33N3O5/c1-26-7-9-27(10-8-26)22(29)13-17-12-19-18-11-16(25-24(30)15-3-2-4-15)5-6-20(18)32-23(19)21(14-28)31-17/h5-6,11,15,17,19,21,23,28H,2-4,7-10,12-14H2,1H3,(H,25,30)/t17-,19+,21+,23-/m0/s1
InChIKey	SOARVSRWKWCBLL-GBPFJNKXSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide (CHEBI:101531) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-12894	LINCS