N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:98066)

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CHEBI:98066 - N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-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:98066
ChEBI Name	N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-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	C30H30N2O7
Net Charge	0
Average Mass	530.577
Monoisotopic Mass	530.20530
SMILES	O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1
InChI	InChI=1S/C30H30N2O7/c33-16-27-29-23(14-21(38-27)15-28(34)31-11-10-18-4-2-1-3-5-18)22-13-20(7-9-24(22)39-29)32-30(35)19-6-8-25-26(12-19)37-17-36-25/h1-9,12-13,21,23,27,29,33H,10-11,14-17H2,(H,31,34)(H,32,35)/t21-,23-,27+,29+/m0/s1
InChIKey	WERZBRNJFLNQTM-KMQHBQLASA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:98066) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-9445	LINCS