2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:99581)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:99581 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

Take structure to advanced search

ChEBI ID	CHEBI:99581
ChEBI Name	2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
Stars
Downloads	Molfile

Formula	C25H28N2O8
Net Charge	0
Average Mass	484.505
Monoisotopic Mass	484.18457
SMILES	COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccc4c(c3)OCO4)O[C@@H](CO)[C@@H]1O2
InChI	InChI=1S/C25H28N2O8/c1-31-12-24(30)27-15-3-5-19-17(7-15)18-8-16(34-22(11-28)25(18)35-19)9-23(29)26-10-14-2-4-20-21(6-14)33-13-32-20/h2-7,16,18,22,25,28H,8-13H2,1H3,(H,26,29)(H,27,30)/t16-,18+,22+,25-/m1/s1
InChIKey	ZGEAGHWTKPKCOK-YONGWMJJSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:99581) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-10960	LINCS