3,4-dimethyl-5-carboxyethyl-2-furanpropanoic acid (CHEBI:197102)

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CHEBI:197102 - 3,4-dimethyl-5-carboxyethyl-2-furanpropanoic acid

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ChEBI ID	CHEBI:197102
ChEBI Name	3,4-dimethyl-5-carboxyethyl-2-furanpropanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H16O5
Net Charge	0
Average Mass	240.255
Monoisotopic Mass	240.09977
SMILES	Cc1c(CCC(=O)O)oc(CCC(=O)O)c1C
InChI	InChI=1S/C12H16O5/c1-7-8(2)10(4-6-12(15)16)17-9(7)3-5-11(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKey	KRGCZCCLCZHGNO-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Cannabis sativa (ncbitaxon:3483)	inflorescence (BTO:0000628)	MetaboLights (MTBLS6032)	Strain: Cannabis sativa var. DMG265

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	3,4-dimethyl-5-carboxyethyl-2-furanpropanoic acid (CHEBI:197102) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
3-[5-(2-carboxyethyl)-3,4-dimethyluran-2-yl]propanoic acid

Manual Xrefs	Databases
113368392	ChemSpider
LMFA01150050	LIPID MAPS