2-[(1S,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-(cyclopropylmethyl)acetamide (CHEBI:110430)

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CHEBI:110430 - 2-[(1S,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-(cyclopropylmethyl)acetamide

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ChEBI ID	CHEBI:110430
ChEBI Name	2-[(1S,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-(cyclopropylmethyl)acetamide
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Downloads	Molfile

Formula	C21H28N2O6
Net Charge	0
Average Mass	404.463
Monoisotopic Mass	404.19474
SMILES	COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@H]1O2
InChI	InChI=1S/C21H28N2O6/c1-27-11-20(26)23-13-4-5-17-15(6-13)16-7-14(28-18(10-24)21(16)29-17)8-19(25)22-9-12-2-3-12/h4-6,12,14,16,18,21,24H,2-3,7-11H2,1H3,(H,22,25)(H,23,26)/t14-,16-,18+,21+/m1/s1
InChIKey	IMUPCUMLIPIWQW-GXLIZGDTSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,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-(cyclopropylmethyl)acetamide (CHEBI:110430) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-21877	LINCS