N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide (CHEBI:120067)

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CHEBI:120067 - N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide

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ChEBI ID	CHEBI:120067
ChEBI Name	N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
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Downloads	Molfile

Formula	C27H32N2O6
Net Charge	0
Average Mass	480.561
Monoisotopic Mass	480.22604
SMILES	COc1ccc(CNC(=O)C[C@H]2C[C@@H]3c4cc(NC(=O)C5CCC5)ccc4O[C@@H]3[C@H](CO)O2)cc1
InChI	InChI=1S/C27H32N2O6/c1-33-19-8-5-16(6-9-19)14-28-25(31)13-20-12-22-21-11-18(29-27(32)17-3-2-4-17)7-10-23(21)35-26(22)24(15-30)34-20/h5-11,17,20,22,24,26,30H,2-4,12-15H2,1H3,(H,28,31)(H,29,32)/t20-,22-,24+,26+/m1/s1
InChIKey	QQFSWHWRRZLIPD-GUAAGHCTSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide (CHEBI:120067) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-31510	LINCS