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CHEBI:202950 - Anhydroaspergillomarasmine B

ChEBI IDCHEBI:202950
ChEBI NameAnhydroaspergillomarasmine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12N2O7
Net Charge0
Average Mass260.202
Monoisotopic Mass260.06445
SMILESO=C(O)CC(C(=O)O)N1CC(C(=O)O)NCC1=O
InChIInChI=1S/C9H12N2O7/c12-6-2-10-4(8(15)16)3-11(6)5(9(17)18)1-7(13)14/h4-5,10H,1-3H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyJVDCMIDPHDOKQA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (14321962)
ChEBI Ontology
Outgoing Relation(s)
Anhydroaspergillomarasmine B (CHEBI:202950) is a aspartic acid derivative (CHEBI:22661)
IUPAC Name 
2-(5-carboxy-2-oxopiperazin-1-yl)butanedioic acid
Manual XrefsDatabases
78435846ChemSpider