(Q27125964)

CHEBI:58689 (English)

(1S,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate(2-)

6 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₁H₁₀O₆²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(C(C(=C1)C(=O)CCC(=O)[O-])C(=O)[O-])O

1 reference

CHEBI:58689 (English)

6 October 2016

isomeric SMILES

C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)[O-])C(=O)[O-])O

1 reference

CHEBI:58689 (English)

InChI=1S/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)/p-2/t8-,10-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:58689 (English)

QJYRAJSESKVEAE-PSASIEDQSA-L

6 October 2016

InChIKey

2 references

CHEBI:58689 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1R,6R)-2-(3-Carboxylatopropanoyl)-6-hydroxy-2,4-cyclohexadiene-1-carboxylate (English)

6 October 2016

1 reference

CHEBI:58689 (English)

6 October 2016

ChEBI ID

58689

mapping relation type

1 reference