EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216635 - Citridone H

ChEBI IDCHEBI:216635
ChEBI NameCitridone H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21NO4
Net Charge0
Average Mass327.380
Monoisotopic Mass327.14706
SMILESC/C=C(\C)[C@@H]1Oc2ncc(-c3ccccc3)c(=O)c2[C@@H](O)[C@]1(C)O
InChIInChI=1S/C19H21NO4/c1-4-11(2)17-19(3,23)16(22)14-15(21)13(10-20-18(14)24-17)12-8-6-5-7-9-12/h4-10,16-17,22-23H,1-3H3,(H,20,21)/b11-4+/t16-,17+,19+/m1/s1
InChIKeyBDXGJFYURSCKRH-NTKFYALDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tetlet.2020.151843)
ChEBI Ontology
Outgoing Relation(s)
Citridone H (CHEBI:216635) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
(2S,3S,4R)-2-[(E)-but-2-en-2-yl]-3,4-dihydroxy-3-methyl-6-phenyl-4,8-dihydro-2H-pyrano[2,3-b]pyridin-5-one
Manual XrefsDatabases
101936366ChemSpider