2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:131258)

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CHEBI:131258 - 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

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ChEBI ID	CHEBI:131258
ChEBI Name	2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
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Downloads	Molfile

Formula	C24H29N3O6
Net Charge	0
Average Mass	455.511
Monoisotopic Mass	455.20564
SMILES	COc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@@H](CC(=O)N(C)C)O[C@@H](CO)[C@H]2O3)cc1
InChI	InChI=1S/C24H29N3O6/c1-27(2)22(29)12-17-11-19-18-10-15(6-9-20(18)33-23(19)21(13-28)32-17)26-24(30)25-14-4-7-16(31-3)8-5-14/h4-10,17,19,21,23,28H,11-13H2,1-3H3,(H2,25,26,30)/t17-,19+,21-,23-/m0/s1
InChIKey	RNEATWJSKJKSLU-FTJYFCJYSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:131258) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-21838	LINCS