N-[(1S,3S,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:97347)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97347 - N-[(1S,3S,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

Take structure to advanced search

ChEBI ID	CHEBI:97347
ChEBI Name	N-[(1S,3S,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
Stars
Downloads	Molfile

Formula	C28H32N2O7
Net Charge	0
Average Mass	508.571
Monoisotopic Mass	508.22095
SMILES	O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1
InChI	InChI=1S/C28H32N2O7/c31-14-25-27-21(12-19(36-25)13-26(32)29-17-4-2-1-3-5-17)20-11-18(7-9-22(20)37-27)30-28(33)16-6-8-23-24(10-16)35-15-34-23/h6-11,17,19,21,25,27,31H,1-5,12-15H2,(H,29,32)(H,30,33)/t19-,21-,25-,27+/m0/s1
InChIKey	VAJXXPPWCPTEHE-GCMLAXDWSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,3S,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:97347) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-8726	LINCS