(Q115970960)

English

5-(1-Carboxyethenoxy)-2-(3-carboxypropanoyl)-6-hydroxycyclohex-3-ene-1-carboxylic acid

group of stereoisomers with the chemical formula C₁₄H₁₆O₉

In more languages

Statements

group of stereoisomers

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chemical compound

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328.079432092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₄H₁₆O₉

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canonical SMILES

O=C(O)C(OC1C=CC(C(=O)CCC(=O)O)C(C(=O)O)C1O)=C

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Escherichia coli

1 reference

A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.

Identifiers

InChI=1S/C14H16O9/c1-6(13(19)20)23-9-4-2-7(8(15)3-5-10(16)17)11(12(9)18)14(21)22/h2,4,7,9,11-12,18H,1,3,5H2,(H,16,17)(H,19,20)(H,21,22)

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XYCATPIYKOARSZ-UHFFFAOYSA-N

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2 references

3 January 2023

based on heuristic

inferred from InChIKey

matched by identifier from

XYCATPIYKOARSZ-UHFFFAOYSA-N

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