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CHEBI:215954 - CJ-16,173

ChEBI IDCHEBI:215954
ChEBI NameCJ-16,173
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19NO4
Net Charge0
Average Mass325.364
Monoisotopic Mass325.13141
SMILESC/C=C1\CO[C@H](O)[C@]2(C)c3c(ncc(-c4ccccc4)c3=O)O[C@H]12
InChIInChI=1S/C19H19NO4/c1-3-11-10-23-18(22)19(2)14-15(21)13(12-7-5-4-6-8-12)9-20-17(14)24-16(11)19/h3-9,16,18,22H,10H2,1-2H3,(H,20,21)/b11-3+/t16-,18+,19-/m1/s1
InChIKeyMDPFIHREEGWODX-ZJVYMTFOSA-N
Species of MetaboliteComponentSourceComments
Cladobotryum (ncbitaxon:73504) - PubMed (11918067)
ChEBI Ontology
Outgoing Relation(s)
CJ-16,173 (CHEBI:215954) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
(2R,3S,6E,7R)-6-ethylidene-3-hydroxy-2-methyl-12-phenyl-4,8-dioxa-10-azatricyclo[7.4.0.02,7]trideca-1(9),11-dien-13-one
Manual XrefsDatabases
9296049ChemSpider