EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193415 - 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid

ChEBI IDCHEBI:193415
ChEBI Name2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O5
Net Charge0
Average Mass266.293
Monoisotopic Mass266.11542
SMILESCOc1c(CC=C(C)C)c(O)cc(O)c1CC(=O)O
InChIInChI=1S/C14H18O5/c1-8(2)4-5-9-11(15)7-12(16)10(6-13(17)18)14(9)19-3/h4,7,15-16H,5-6H2,1-3H3,(H,17,18)
InChIKeyCRNYOXYZHUISBD-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-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid (CHEBI:193415) is a phenols (CHEBI:33853)
2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid (CHEBI:193415) is a phenylacetic acids (CHEBI:25978)
IUPAC Name 
2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]acetic acid
Manual XrefsDatabases
74851714ChemSpider