2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:122898)

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CHEBI:122898 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

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ChEBI ID	CHEBI:122898
ChEBI Name	2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
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Downloads	Molfile

Formula	C30H31N3O8
Net Charge	0
Average Mass	561.591
Monoisotopic Mass	561.21111
SMILES	COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)NCc4ccc5c(c4)OCO5)O[C@@H](CO)[C@@H]2O3)cc1
InChI	InChI=1S/C30H31N3O8/c1-37-20-6-3-18(4-7-20)32-30(36)33-19-5-9-24-22(11-19)23-12-21(40-27(15-34)29(23)41-24)13-28(35)31-14-17-2-8-25-26(10-17)39-16-38-25/h2-11,21,23,27,29,34H,12-16H2,1H3,(H,31,35)(H2,32,33,36)/t21-,23+,27+,29-/m1/s1
InChIKey	JXDOTDJWTJAHDX-ZDOYKXOFSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:122898) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-34341	LINCS