(Q115946536)

English

2-[[2-[2-(4-Carboxybut-2-enyl)-3-oxocyclopentyl]acetyl]amino]-3-methylpentanoic acid

group of stereoisomers with the chemical formula C₁₈H₂₇NO₆

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Statements

group of stereoisomers

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chemical compound

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353.183837584 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₇NO₆

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canonical SMILES

O=C(O)CC=CCC1C(=O)CCC1CC(=O)NC(C(=O)O)C(C)CC

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1 reference

UHPLC-ESI-QTOF-MS-based metabolic profiling of Vicia faba L. (Fabaceae) seeds as a key strategy for characterization in foodomics

Identifiers

InChI=1S/C18H27NO6/c1-3-11(2)17(18(24)25)19-15(21)10-12-8-9-14(20)13(12)6-4-5-7-16(22)23/h4-5,11-13,17H,3,6-10H2,1-2H3,(H,19,21)(H,22,23)(H,24,25)

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JGWHHQHWBOQVJU-UHFFFAOYSA-N

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1 reference

2 January 2023

based on heuristic

inferred from InChIKey

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