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CHEBI:198100 - Diatretol

ChEBI IDCHEBI:198100
ChEBI NameDiatretol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22N2O4
Net Charge0
Average Mass306.362
Monoisotopic Mass306.15796
SMILESCO[C@]1(CC(C)C)NC(=O)[C@](O)(Cc2ccccc2)NC1=O
InChIInChI=1S/C16H22N2O4/c1-11(2)9-16(22-3)14(20)17-15(21,13(19)18-16)10-12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3,(H,17,20)(H,18,19)/t15-,16+/m1/s1
InChIKeyNDEDJEICWCDGNY-CVEARBPZSA-N
Species of MetaboliteComponentSourceComments
Clitocybe diatreta (ncbitaxon:2937327) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Diatretol (CHEBI:198100) has functional parent α-amino acid (CHEBI:33704)
Diatretol (CHEBI:198100) is a organonitrogen compound (CHEBI:35352)
Diatretol (CHEBI:198100) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6S)-3-benzyl-3-hydroxy-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione
Manual XrefsDatabases
28534149ChemSpider