2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:100743)

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CHEBI:100743 - 2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

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ChEBI ID	CHEBI:100743
ChEBI Name	2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
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Downloads	Molfile

Formula	C20H28N2O4
Net Charge	0
Average Mass	360.454
Monoisotopic Mass	360.20491
SMILES	CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@H]1O2
InChI	InChI=1S/C20H28N2O4/c1-22(2)13-5-6-17-15(7-13)16-8-14(25-18(11-23)20(16)26-17)9-19(24)21-10-12-3-4-12/h5-7,12,14,16,18,20,23H,3-4,8-11H2,1-2H3,(H,21,24)/t14-,16-,18+,20+/m1/s1
InChIKey	JLJMCVQNTFDIRA-BIJSTVTOSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:100743) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-12117	LINCS