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CHEBI:206170 - Sclerotiorumin C

ChEBI IDCHEBI:206170
ChEBI NameSclerotiorumin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N2O5
Net Charge0
Average Mass272.301
Monoisotopic Mass272.13722
SMILESCC(C)CC1(OC(C(=O)O)C(C)C)N=CNOC1=O
InChIInChI=1S/C12H20N2O5/c1-7(2)5-12(11(17)19-14-6-13-12)18-9(8(3)4)10(15)16/h6-9H,5H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyCMJMRUBGWGSVMT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27936301)
ChEBI Ontology
Outgoing Relation(s)
Sclerotiorumin C (CHEBI:206170) has functional parent α-amino acid (CHEBI:33704)
Sclerotiorumin C (CHEBI:206170) is a organonitrogen compound (CHEBI:35352)
Sclerotiorumin C (CHEBI:206170) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3-methyl-2-[[5-(2-methylpropyl)-6-oxo-2H-1,2,4-oxadiazin-5-yl]oxy]butanoic acid
Manual XrefsDatabases
61360292ChemSpider