2-[(1R,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:117482)

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CHEBI:117482 - 2-[(1R,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

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ChEBI ID	CHEBI:117482
ChEBI Name	2-[(1R,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
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Downloads	Molfile

Formula	C22H24N2O6
Net Charge	0
Average Mass	412.442
Monoisotopic Mass	412.16344
SMILES	COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1
InChI	InChI=1S/C22H24N2O6/c1-28-20(26)11-15-10-17-16-9-14(24-22(27)23-13-5-3-2-4-6-13)7-8-18(16)30-21(17)19(12-25)29-15/h2-9,15,17,19,21,25H,10-12H2,1H3,(H2,23,24,27)/t15-,17-,19-,21+/m1/s1
InChIKey	BVQWYDMOVFWUGX-WELBPKCISA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1R,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:117482) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-28931	LINCS