EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225242 - (2R)-2-hydroxy-1-(8-hydroxy-3-methylisoquinolin-7-yl)-3-methylbutan-1-one

ChEBI IDCHEBI:225242
ChEBI Name(2R)-2-hydroxy-1-(8-hydroxy-3-methylisoquinolin-7-yl)-3-methylbutan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17NO3
Net Charge0
Average Mass259.305
Monoisotopic Mass259.12084
SMILESCc1cc2ccc(C(=O)[C@H](O)C(C)C)c(O)c2cn1
InChIInChI=1S/C15H17NO3/c1-8(2)13(17)15(19)11-5-4-10-6-9(3)16-7-12(10)14(11)18/h4-8,13,17-18H,1-3H3/t13-/m1/s1
InChIKeyMNFONVOXPQRHPK-CYBMUJFWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus calidoustus (ncbitaxon:454130) - PubMed (19422073)
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-hydroxy-1-(8-hydroxy-3-methylisoquinolin-7-yl)-3-methylbutan-1-one (CHEBI:225242) is a butanone (CHEBI:22951)
IUPAC Name 
(2R)-2-hydroxy-1-(8-hydroxy-3-methylisoquinolin-7-yl)-3-methylbutan-1-one
Manual XrefsDatabases
78442739ChemSpider