EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177935 - 3-hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic acid

ChEBI IDCHEBI:177935
ChEBI Name3-hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O5
Net Charge0
Average Mass212.201
Monoisotopic Mass212.06847
SMILESCOc1cc(C(O)CC(=O)O)ccc1O
InChIInChI=1S/C10H12O5/c1-15-9-4-6(2-3-7(9)11)8(12)5-10(13)14/h2-4,8,11-12H,5H2,1H3,(H,13,14)
InChIKeyABTZMSOARGMKMK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) Article
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-hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic acid (CHEBI:177935) is a benzenes (CHEBI:22712)
3-hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic acid (CHEBI:177935) is a monocarboxylic acid (CHEBI:25384)
3-hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic acid (CHEBI:177935) is conjugate acid of 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate (CHEBI:229973)
Incoming Relation(s)
3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate (CHEBI:229973) is conjugate base of 3-hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic acid (CHEBI:177935)
IUPAC Name 
3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Manual XrefsDatabases
HMDB0133486HMDB
32180255ChemSpider