EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203413 - 3-[(2R,3R,5S,6R)-6-[(2R)-butan-2-yl]-3,5-dimethyloxan-2-yl]-1,4-dihydroxy-5-phenylpyridin-2-one

ChEBI IDCHEBI:203413
ChEBI Name3-[(2R,3R,5S,6R)-6-[(2R)-butan-2-yl]-3,5-dimethyloxan-2-yl]-1,4-dihydroxy-5-phenylpyridin-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29NO4
Net Charge0
Average Mass371.477
Monoisotopic Mass371.20966
SMILESCC[C@@H](C)[C@H]1O[C@@H](c2c(O)c(-c3ccccc3)cn(O)c2=O)[C@H](C)C[C@@H]1C
InChIInChI=1S/C22H29NO4/c1-5-13(2)20-14(3)11-15(4)21(27-20)18-19(24)17(12-23(26)22(18)25)16-9-7-6-8-10-16/h6-10,12-15,20-21,24,26H,5,11H2,1-4H3/t13-,14+,15-,20-,21-/m1/s1
InChIKeyKMGDCJDRYJVZCA-JQGYYDNOSA-N
Species of MetaboliteComponentSourceComments
Septoria (ncbitaxon:39702) - PubMed (20550123)
ChEBI Ontology
Outgoing Relation(s)
3-[(2R,3R,5S,6R)-6-[(2R)-butan-2-yl]-3,5-dimethyloxan-2-yl]-1,4-dihydroxy-5-phenylpyridin-2-one (CHEBI:203413) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
3-[(2R,3R,5S,6R)-6-[(2R)-butan-2-yl]-3,5-dimethyloxan-2-yl]-1,4-dihydroxy-5-phenylpyridin-2-one
Manual XrefsDatabases
25042989ChemSpider