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CHEBI:186864 - 3-{3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl}-2-hydroxypropanoic acid

ChEBI IDCHEBI:186864
ChEBI Name3-{3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl}-2-hydroxypropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O5
Net Charge0
Average Mass266.293
Monoisotopic Mass266.11542
SMILESCC1(C)OC1Cc1cc(CC(O)C(=O)O)ccc1O
InChIInChI=1S/C14H18O5/c1-14(2)12(19-14)7-9-5-8(3-4-10(9)15)6-11(16)13(17)18/h3-5,11-12,15-16H,6-7H2,1-2H3,(H,17,18)
InChIKeyLMTXUJRDHMJNMY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-{3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl}-2-hydroxypropanoic acid (CHEBI:186864) is a benzenes (CHEBI:22712)
3-{3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl}-2-hydroxypropanoic acid (CHEBI:186864) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
3-[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]-2-hydroxypropanoic acid
Manual XrefsDatabases
74853219ChemSpider
HMDB0133197HMDB