EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216015 - 4-hydroxy-3-[(1R)-1-hydroxy-3-methylbut-3-en-1-yl]benzoic acid

ChEBI IDCHEBI:216015
ChEBI Name4-hydroxy-3-[(1R)-1-hydroxy-3-methylbut-3-en-1-yl]benzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESC=C(C)C[C@@H](O)c1cc(C(=O)O)ccc1O
InChIInChI=1S/C12H14O4/c1-7(2)5-11(14)9-6-8(12(15)16)3-4-10(9)13/h3-4,6,11,13-14H,1,5H2,2H3,(H,15,16)/t11-/m1/s1
InChIKeyOFPYYGDXSALPBI-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Drechsleraspecies (ncbitaxon:67606) - PubMed (29851264)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-3-[(1R)-1-hydroxy-3-methylbut-3-en-1-yl]benzoic acid (CHEBI:216015) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
4-hydroxy-3-[(1R)-1-hydroxy-3-methylbut-3-enyl]benzoic acid