CHEBI:174242 - Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate

ChEBI IDCHEBI:174242
ChEBI NameIsopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCC(C)OC(=O)C(O)Cc1ccc(O)c(O)c1
InChIInChI=1S/C12H16O5/c1-7(2)17-12(16)11(15)6-8-3-4-9(13)10(14)5-8/h3-5,7,11,13-15H,6H2,1-2H3
InChIKeyZYFWDUKUSGLMGL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate (CHEBI:174242) is a catechols (CHEBI:33566)
IUPAC Name 
propan-2-yl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
Manual XrefsDatabases
HMDB0041756HMDB
23254884ChemSpider