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CHEBI:219997 - CP-471,326

ChEBI IDCHEBI:219997
ChEBI NameCP-471,326
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19NO4
Net Charge0
Average Mass325.364
Monoisotopic Mass325.13141
SMILESC/C(=C\CO)[C@H]1Oc2ncc(-c3ccccc3)c(=O)c2[C@@]1(C)C=O
InChIInChI=1S/C19H19NO4/c1-12(8-9-21)17-19(2,11-22)15-16(23)14(10-20-18(15)24-17)13-6-4-3-5-7-13/h3-8,10-11,17,21H,9H2,1-2H3,(H,20,23)/b12-8+/t17-,19-/m1/s1
InChIKeyKKYNFPYTLOXXDI-PWNOGMSSSA-N
Species of MetaboliteComponentSourceComments
Calonectria (ncbitaxon:57138) - PubMed (11918067)
ChEBI Ontology
Outgoing Relation(s)
CP-471,326 (CHEBI:219997) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
(2R,3R)-2-[(E)-4-hydroxybut-2-en-2-yl]-3-methyl-4-oxo-5-phenyl-2,7-dihydrouro[2,3-b]pyridine-3-carbaldehyde
Manual XrefsDatabases
9901821ChemSpider