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CHEBI:204108 - 3-(3-hydroxy-4-methoxybenzyl)-6-isobutyl-2,5-diketopiperazine

ChEBI IDCHEBI:204108
ChEBI Name3-(3-hydroxy-4-methoxybenzyl)-6-isobutyl-2,5-diketopiperazine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22N2O4
Net Charge0
Average Mass306.362
Monoisotopic Mass306.15796
SMILESCOc1ccc(C[C@H]2NC(=O)[C@@H](CC(C)C)NC2=O)cc1O
InChIInChI=1S/C16H22N2O4/c1-9(2)6-11-15(20)18-12(16(21)17-11)7-10-4-5-14(22-3)13(19)8-10/h4-5,8-9,11-12,19H,6-7H2,1-3H3,(H,17,21)(H,18,20)/t11-,12-/m1/s1
InChIKeyUAAHEUFOBRJXPN-VXGBXAGGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26828674)
ChEBI Ontology
Outgoing Relation(s)
3-(3-hydroxy-4-methoxybenzyl)-6-isobutyl-2,5-diketopiperazine (CHEBI:204108) is a methoxybenzenes (CHEBI:51683)
3-(3-hydroxy-4-methoxybenzyl)-6-isobutyl-2,5-diketopiperazine (CHEBI:204108) is a phenols (CHEBI:33853)
IUPAC Name 
(3R,6R)-3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
Manual XrefsDatabases
58196950ChemSpider