3-(2,5-dimethylbenzo[d][1,3]dioxol-2-yl)propanoic acid (CHEBI:210961)

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CHEBI:210961 - 3-(2,5-dimethylbenzo[d][1,3]dioxol-2-yl)propanoic acid

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ChEBI ID	CHEBI:210961
ChEBI Name	3-(2,5-dimethylbenzo[d][1,3]dioxol-2-yl)propanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14O4
Net Charge	0
Average Mass	222.240
Monoisotopic Mass	222.08921
SMILES	Cc1ccc2c(c1)O[C@@](C)(CCC(=O)O)O2
InChI	InChI=1S/C12H14O4/c1-8-3-4-9-10(7-8)16-12(2,15-9)6-5-11(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)/t12-/m0/s1
InChIKey	AMNGHGQATMMOQX-LBPRGKRZSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (30946944)

ChEBI Ontology

Outgoing Relation(s)
	3-(2,5-dimethylbenzo[d][1,3]dioxol-2-yl)propanoic acid (CHEBI:210961) is a benzodioxoles (CHEBI:38298)

IUPAC Name
3-(2,5-dimethyl-1,3-benzodioxol-2-yl)propanoic acid

Manual Xrefs	Databases
61800824	ChemSpider