(Q105305775)

English

2,7-Dimethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydeca-2,4-dienedioic acid

group of stereoisomers with the chemical formula C₁₈H₂₈O₁₀

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Statements

group of stereoisomers

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chemical compound

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404.168247096 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₈O₁₀

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canonical SMILES

O=C(O)C(=CC=CCC(C)C(OC1OC(CO)C(O)C(O)C1O)CC(=O)O)C

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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/C18H28O10/c1-9(5-3-4-6-10(2)17(25)26)11(7-13(20)21)27-18-16(24)15(23)14(22)12(8-19)28-18/h3-4,6,9,11-12,14-16,18-19,22-24H,5,7-8H2,1-2H3,(H,20,21)(H,25,26)

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WHRWRZSKZMYJOX-UHFFFAOYSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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