Terretrione A (CHEBI:212577)

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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	Terretrione A

ChEBI ID	CHEBI:212577

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H24N2O3

Net Charge

Average Mass

316.401

Monoisotopic Mass

316.17869

InChI

InChI=1S/C18H24N2O3/c1-12(2)10-15-18(23)20(4)17(22)14(16(21)19(15)3)11-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3

InChIKey

KJGWAOPELYGWFA-UHFFFAOYSA-N

SMILES

O=C1N(C(=O)C(CC2=CC=CC=C2)C(N(C1CC(C)C)C)=O)C

Metabolite of Species	Details
Aspergillus terreus (NCBI:txid33178)	See: PubMed

ChEBI Ontology
Outgoing	Terretrione A (CHEBI:212577) has functional parent α-amino acid (CHEBI:33704) Terretrione A (CHEBI:212577) is a organonitrogen compound (CHEBI:35352) Terretrione A (CHEBI:212577) is a organooxygen compound (CHEBI:36963)

IUPAC Name

6-benzyl-1,4-dimethyl-3-(2-methylpropyl)-1,4-diazepane-2,5,7-trione