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CHEBI:203460 - Citridone C

ChEBI IDCHEBI:203460
ChEBI NameCitridone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21NO4
Net Charge0
Average Mass327.380
Monoisotopic Mass327.14706
SMILESCC1=C(C)C(=O)C(C)(C2=C(O)[C@@H]([C@H](O)c3ccccc3)NC2=O)C1
InChIInChI=1S/C19H21NO4/c1-10-9-19(3,17(23)11(10)2)13-16(22)14(20-18(13)24)15(21)12-7-5-4-6-8-12/h4-8,14-15,21-22H,9H2,1-3H3,(H,20,24)/t14-,15-,19?/m1/s1
InChIKeyCRAKOWUCMGTDDN-YCQNMSHMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (16060383)
ChEBI Ontology
Outgoing Relation(s)
Citridone C (CHEBI:203460) is a benzenes (CHEBI:22712)
IUPAC Name 
(2R)-3-hydroxy-2-[(R)-hydroxy(phenyl)methyl]-4-(1,3,4-trimethyl-2-oxocyclopent-3-en-1-yl)-1,2-dihydropyrrol-5-one
Manual XrefsDatabases
78442572ChemSpider