N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:100885)

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CHEBI:100885 - N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

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ChEBI ID	CHEBI:100885
ChEBI Name	N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
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Downloads	Molfile

Formula	C29H35N3O7
Net Charge	0
Average Mass	537.613
Monoisotopic Mass	537.24750
SMILES	O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1)NCCN1CCCCC1
InChI	InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22-,26-,28+/m1/s1
InChIKey	WXIRIDSMDJYJEU-DFQMGKBUSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:100885) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-12259	LINCS