2-{3-[(3,3-dimethyloxiran-2-yl)methyl]-4,6-dihydroxy-2-methoxyphenyl}acetic acid (CHEBI:193291)

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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	2-{3-[(3,3-dimethyloxiran-2-yl)methyl]-4,6-dihydroxy-2-methoxyphenyl}acetic acid

ChEBI ID	CHEBI:193291

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18O6

Net Charge

Average Mass

282.292

Monoisotopic Mass

282.11034

InChI

InChI=1S/C14H18O6/c1-14(2)11(20-14)4-7-9(15)6-10(16)8(5-12(17)18)13(7)19-3/h6,11,15-16H,4-5H2,1-3H3,(H,17,18)

InChIKey

HLUUILBUIDJCCD-UHFFFAOYSA-N

SMILES

O1C(C1CC2=C(OC)C(=C(O)C=C2O)CC(O)=O)(C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	2-{3-[(3,3-dimethyloxiran-2-yl)methyl]-4,6-dihydroxy-2-methoxyphenyl}acetic acid (CHEBI:193291) is a phenols (CHEBI:33853) 2-{3-[(3,3-dimethyloxiran-2-yl)methyl]-4,6-dihydroxy-2-methoxyphenyl}acetic acid (CHEBI:193291) is a phenylacetic acids (CHEBI:25978)

IUPAC Name

2-[3-[(3,3-dimethyloxiran-2-yl)methyl]-4,6-dihydroxy-2-methoxyphenyl]acetic acid