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CHEBI:216646 - Citridone J

ChEBI IDCHEBI:216646
ChEBI NameCitridone J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19NO3
Net Charge0
Average Mass309.365
Monoisotopic Mass309.13649
SMILESCC1=C[C@]2(C[C@H]1C)c1c(c(-c3ccccc3)cnc1=O)O[C@@H]2O
InChIInChI=1S/C19H19NO3/c1-11-8-19(9-12(11)2)15-16(23-18(19)22)14(10-20-17(15)21)13-6-4-3-5-7-13/h3-8,10,12,18,22H,9H2,1-2H3,(H,20,21)/t12-,18+,19+/m1/s1
InChIKeyVIXDBAHFGZDYIO-HQOQDVMHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tetlet.2020.151843)
ChEBI Ontology
Outgoing Relation(s)
Citridone J (CHEBI:216646) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
(2S,3R,5'R)-2-hydroxy-1',5'-dimethyl-7-phenylspiro[2,5-dihydrouro[3,2-c]pyridine-3,3'-cyclopentene]-4-one
Manual XrefsDatabases
101936368ChemSpider