4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1-hydroxy-6-oxo-2,3,5-trioxabicyclo[2.2.2]oct-7-en-7-olate (CHEBI:190291)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1-hydroxy-6-oxo-2,3,5-trioxabicyclo[2.2.2]oct-7-en-7-olate

ChEBI ID	CHEBI:190291

ChEBI ASCII Name	4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1-hydroxy-6-oxo-2,3,5-trioxabicyclo[2.2.2]oct-7-en-7-olate

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

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C13H9O8

Net Charge

-1

Average Mass

293.208

Monoisotopic Mass

293.03029

InChI

InChI=1S/C13H10O8/c14-8-2-1-7(5-9(8)15)3-4-12-6-10(16)13(18,21-20-12)11(17)19-12/h1-6,14-16,18H/p-1/b4-3+

InChIKey

YKRIHJNBOCNWST-ONEGZZNKSA-M

SMILES

C12(/C=C/C3=CC(=C(C=C3)O)O)C=C(C(C(O1)=O)(O)OO2)[O-]

Roles Classification
Chemical Role(s):	luciferin A low-molecular-mass compound present in bioluminescent organisms that emits light when oxidized in presence of enzyme luciferase.

Biological Role(s):	luciferin A low-molecular-mass compound present in bioluminescent organisms that emits light when oxidized in presence of enzyme luciferase.

ChEBI Ontology
Outgoing	4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1-hydroxy-6-oxo-2,3,5-trioxabicyclo[2.2.2]oct-7-en-7-olate (CHEBI:190291) has role luciferin (CHEBI:25078) 4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1-hydroxy-6-oxo-2,3,5-trioxabicyclo[2.2.2]oct-7-en-7-olate (CHEBI:190291) is a catechols (CHEBI:33566)

Synonym	Source
4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1,7-dihydroxy-2,3,5-trioxabicyclo[2.2.2]oct-7-en-6-one	UniProt