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CHEBI:227230 - CJ-16,171

ChEBI IDCHEBI:227230
ChEBI NameCJ-16,171
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19NO3
Net Charge0
Average Mass309.365
Monoisotopic Mass309.13649
SMILESCC1=C[C@@]2(C)c3c(c(-c4ccccc4)cnc3=O)O[C@H]2O[C@H]1C
InChIInChI=1S/C19H19NO3/c1-11-9-19(3)15-16(23-18(19)22-12(11)2)14(10-20-17(15)21)13-7-5-4-6-8-13/h4-10,12,18H,1-3H3,(H,20,21)/t12-,18+,19-/m0/s1
InChIKeyPXSYKUIWENRRCE-RQUSPXKASA-N
Species of MetaboliteComponentSourceComments
Cladobotryum (ncbitaxon:73504) - PubMed (11918067)
ChEBI Ontology
Outgoing Relation(s)
CJ-16,171 (CHEBI:227230) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
(1S,9R,11S)-1,11,12-trimethyl-6-phenyl-8,10-dioxa-4-azatricyclo[7.4.0.02,7]trideca-2(7),5,12-trien-3-one
Manual XrefsDatabases
9144091ChemSpider