N-[(1R,3R,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:98184)

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CHEBI:98184 - N-[(1R,3R,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

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ChEBI ID	CHEBI:98184
ChEBI Name	N-[(1R,3R,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
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Downloads	Molfile

Formula	C28H32N2O7
Net Charge	0
Average Mass	508.571
Monoisotopic Mass	508.22095
SMILES	O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1
InChI	InChI=1S/C28H32N2O7/c31-14-25-27-21(12-19(36-25)13-26(32)29-17-4-2-1-3-5-17)20-11-18(7-9-22(20)37-27)30-28(33)16-6-8-23-24(10-16)35-15-34-23/h6-11,17,19,21,25,27,31H,1-5,12-15H2,(H,29,32)(H,30,33)/t19-,21+,25-,27-/m1/s1
InChIKey	VAJXXPPWCPTEHE-DBXGMPFESA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1R,3R,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:98184) is a furopyran (CHEBI:74927)

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LSM-9563	LINCS