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CHEBI:224225 - Citridone D

ChEBI IDCHEBI:224225
ChEBI NameCitridone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19NO4
Net Charge0
Average Mass325.364
Monoisotopic Mass325.13141
SMILESC[C@H]1O[C@@H]2O[C@@]1(C)[C@H]1Oc3ncc(-c4ccccc4)c(=O)c3[C@@]21C
InChIInChI=1S/C19H19NO4/c1-10-19(3)16-18(2,17(22-10)24-19)13-14(21)12(9-20-15(13)23-16)11-7-5-4-6-8-11/h4-10,16-17H,1-3H3,(H,20,21)/t10-,16+,17-,18-,19-/m1/s1
InChIKeyCDIRTKSHNLUOTQ-NEZXWZPGSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (17139101)
ChEBI Ontology
Outgoing Relation(s)
Citridone D (CHEBI:224225) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
(1R,2R,10S,11R,12R)-2,11,12-trimethyl-5-phenyl-9,13,14-trioxa-7-azatetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),5-dien-4-one
Manual XrefsDatabases
78437743ChemSpider