2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide (CHEBI:102830)

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CHEBI:102830 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

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ChEBI ID	CHEBI:102830
ChEBI Name	2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
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Downloads	Molfile

Formula	C20H28N2O6
Net Charge	0
Average Mass	392.452
Monoisotopic Mass	392.19474
SMILES	CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)COC)ccc3O[C@@H]2[C@@H](CO)O1
InChI	InChI=1S/C20H28N2O6/c1-3-6-21-18(24)9-13-8-15-14-7-12(22-19(25)11-26-2)4-5-16(14)28-20(15)17(10-23)27-13/h4-5,7,13,15,17,20,23H,3,6,8-11H2,1-2H3,(H,21,24)(H,22,25)/t13-,15-,17-,20+/m1/s1
InChIKey	ZWJVDCAUIXXXGX-PCFVDWANSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide (CHEBI:102830) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-14176	LINCS