Anhydroaspergillomarasmine B (CHEBI:202950)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Anhydroaspergillomarasmine B

ChEBI ID	CHEBI:202950

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Formula

C9H12N2O7

Net Charge

Average Mass

260.202

Monoisotopic Mass

260.06445

InChI

InChI=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)

InChIKey

JVDCMIDPHDOKQA-UHFFFAOYSA-N

SMILES

O=C1N(C(C(=O)O)CC(=O)O)CC(C(=O)O)NC1

Metabolite of Species	Details
Aspergillus (NCBI:txid5052)	See: PubMed

ChEBI Ontology
Outgoing	Anhydroaspergillomarasmine B (CHEBI:202950) is a aspartic acid derivative (CHEBI:22661)

IUPAC Name

2-(5-carboxy-2-oxopiperazin-1-yl)butanedioic acid