Methyl 3,4,5-trihydroxycyclohexene-1-carboxylate (CHEBI:182136)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Methyl 3,4,5-trihydroxycyclohexene-1-carboxylate

ChEBI ID	CHEBI:182136

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H12O5

Net Charge

Average Mass

188.179

Monoisotopic Mass

188.06847

InChI

InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3

InChIKey

LSNUUAUXWJZSFD-UHFFFAOYSA-N

SMILES

OC1C(O)CC(=CC1O)C(OC)=O

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study

ChEBI Ontology
Outgoing	Methyl 3,4,5-trihydroxycyclohexene-1-carboxylate (CHEBI:182136) is a carbonyl compound (CHEBI:36586)

IUPAC Name

methyl 3,4,5-trihydroxycyclohexene-1-carboxylate