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CHEBI:209993 - CJ-16,170

ChEBI IDCHEBI:209993
ChEBI NameCJ-16,170
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21NO3
Net Charge0
Average Mass311.381
Monoisotopic Mass311.15214
SMILESC/C=C(\C)[C@@H]1Oc2c(-c3ccccc3)cnc(=O)c2[C@@]1(C)CO
InChIInChI=1S/C19H21NO3/c1-4-12(2)17-19(3,11-21)15-16(23-17)14(10-20-18(15)22)13-8-6-5-7-9-13/h4-10,17,21H,11H2,1-3H3,(H,20,22)/b12-4+/t17-,19+/m0/s1
InChIKeyJQFNAPFLERTHQU-ZSYXUDMDSA-N
Species of MetaboliteComponentSourceComments
Cladobotryum (ncbitaxon:73504) - PubMed (11918067)
ChEBI Ontology
Outgoing Relation(s)
CJ-16,170 (CHEBI:209993) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
(2S,3S)-2-[(E)-but-2-en-2-yl]-3-(hydroxymethyl)-3-methyl-7-phenyl-2,5-dihydrouro[3,2-c]pyridin-4-one
Manual XrefsDatabases
9567687ChemSpider