4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid (CHEBI:183779)

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	4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid

ChEBI ID	CHEBI:183779

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H14O4

Net Charge

Average Mass

222.240

Monoisotopic Mass

222.08921

InChI

InChI=1S/C12H14O4/c13-12(14)3-1-2-9-4-5-10-11(8-9)16-7-6-15-10/h4-5,8H,1-3,6-7H2,(H,13,14)

InChIKey

ZFCRXHHGVUYVTG-UHFFFAOYSA-N

SMILES

O1C=2C=C(CCCC(O)=O)C=CC2OCC1

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

ChEBI Ontology
Outgoing	4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid (CHEBI:183779) is a benzodioxine (CHEBI:64096)

IUPAC Name

4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid