N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:102138)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:102138 - N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

Take structure to advanced search

ChEBI ID	CHEBI:102138
ChEBI Name	N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
Stars
Downloads	Molfile

Formula	C30H30N2O8
Net Charge	0
Average Mass	546.576
Monoisotopic Mass	546.20022
SMILES	COc1ccccc1CNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1
InChI	InChI=1S/C30H30N2O8/c1-36-23-5-3-2-4-18(23)14-31-28(34)13-20-12-22-21-11-19(7-9-24(21)40-29(22)27(15-33)39-20)32-30(35)17-6-8-25-26(10-17)38-16-37-25/h2-11,20,22,27,29,33H,12-16H2,1H3,(H,31,34)(H,32,35)/t20-,22-,27+,29+/m1/s1
InChIKey	IQCMSFSSZNINGU-NFSGWUAQSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:102138) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-13497	LINCS