5-Chloro-2-(4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)-N-(6-(3-methoxybenzamido)pyridin-3-yl)isonicotinamide (CHEBI:181223)

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ChEBI Name	5-Chloro-2-(4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)-N-(6-(3-methoxybenzamido)pyridin-3-yl)isonicotinamide

ChEBI ID	CHEBI:181223

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C17H26O10

Net Charge

Average Mass

390.385

Monoisotopic Mass

390.15260

InChI

InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3

InChIKey

XBGJTRDIWPEIMG-UHFFFAOYSA-N

SMILES

O(C1OC=C(C2C1C(O)(CC2)C)C(OC)=O)C3OC(C(O)C(O)C3O)CO

ChEBI Ontology
Outgoing	5-Chloro-2-(4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)-N-(6-(3-methoxybenzamido)pyridin-3-yl)isonicotinamide (CHEBI:181223) is a glycoside (CHEBI:24400) 5-Chloro-2-(4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)-N-(6-(3-methoxybenzamido)pyridin-3-yl)isonicotinamide (CHEBI:181223) is a iridoid monoterpenoid (CHEBI:50563)

IUPAC Name

methyl 7-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate