EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204090 - 3-((1,3-benzodioxol-5-yl)methyl)-6-isobutyl-2,5-diketopiperazine

ChEBI IDCHEBI:204090
ChEBI Name3-((1,3-benzodioxol-5-yl)methyl)-6-isobutyl-2,5-diketopiperazine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N2O4
Net Charge0
Average Mass304.346
Monoisotopic Mass304.14231
SMILESCC(C)C[C@H]1NC(=O)[C@@H](Cc2ccc3c(c2)OCO3)NC1=O
InChIInChI=1S/C16H20N2O4/c1-9(2)5-11-15(19)18-12(16(20)17-11)6-10-3-4-13-14(7-10)22-8-21-13/h3-4,7,9,11-12H,5-6,8H2,1-2H3,(H,17,20)(H,18,19)/t11-,12-/m1/s1
InChIKeyMQZBOPQIPCOUQH-VXGBXAGGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26828674)
ChEBI Ontology
Outgoing Relation(s)
3-((1,3-benzodioxol-5-yl)methyl)-6-isobutyl-2,5-diketopiperazine (CHEBI:204090) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
(3R,6R)-3-(1,3-benzodioxol-5-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
Manual XrefsDatabases
58196951ChemSpider