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CHEBI:216641 - Citridone I

ChEBI IDCHEBI:216641
ChEBI NameCitridone I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21NO4
Net Charge0
Average Mass327.380
Monoisotopic Mass327.14706
SMILESC/C=C(\C)[C@H](O)[C@@]1(C)c2c(c(-c3ccccc3)cnc2=O)O[C@@H]1O
InChIInChI=1S/C19H21NO4/c1-4-11(2)16(21)19(3)14-15(24-18(19)23)13(10-20-17(14)22)12-8-6-5-7-9-12/h4-10,16,18,21,23H,1-3H3,(H,20,22)/b11-4+/t16-,18-,19+/m0/s1
InChIKeyFCPYERMMQRWSCL-BVQYJCQRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tetlet.2020.151843)
ChEBI Ontology
Outgoing Relation(s)
Citridone I (CHEBI:216641) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
(2S,3R)-2-hydroxy-3-[(E,1S)-1-hydroxy-2-methylbut-2-enyl]-3-methyl-7-phenyl-2,5-dihydrouro[3,2-c]pyridin-4-one
Manual XrefsDatabases
101936367ChemSpider