4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid (CHEBI:183334)

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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-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid

ChEBI ID	CHEBI:183334

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H8O4

Net Charge

Average Mass

180.159

Monoisotopic Mass

180.04226

InChI

InChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12)

InChIKey

FABBWECRHZNMDQ-UHFFFAOYSA-N

SMILES

O1C=2CCCC(=O)C2C(=C1)C(O)=O

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

ChEBI Ontology
Outgoing	4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid (CHEBI:183334) is a benzofurans (CHEBI:35259)

IUPAC Name

4-oxo-6,7-dihydro-5H-1-benzouran-3-carboxylic acid