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

Default Structure
ChEBI IDCHEBI:193291
ChEBI Name2-{3-[(3,3-dimethyloxiran-2-yl)methyl]-4,6-dihydroxy-2-methoxyphenyl}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O6
Net Charge0
Average Mass282.292
Monoisotopic Mass282.11034
SMILESCOc1c(CC(=O)O)c(O)cc(O)c1CC1OC1(C)C
InChIInChI=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)
InChIKeyHLUUILBUIDJCCD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
74851721ChemSpider