CHEBI:199485 - Terretrione B

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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 B
ChEBI ID CHEBI:199485
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
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Formula C17H22N2O3
Net Charge 0
Average Mass 302.374
Monoisotopic Mass 302.16304
InChI InChI=1S/C17H22N2O3/c1-11(2)14-17(22)19(4)16(21)13(15(20)18(14)3)10-12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3
InChIKey ZWBRSXCNRXIIBK-UHFFFAOYSA-N
SMILES O=C1N(C(=O)C(CC2=CC=CC=C2)C(N(C1C(C)C)C)=O)C
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: PubMed
ChEBI Ontology
Outgoing Terretrione B (CHEBI:199485) has functional parent α-amino acid (CHEBI:33704)
Terretrione B (CHEBI:199485) is a organonitrogen compound (CHEBI:35352)
Terretrione B (CHEBI:199485) is a organooxygen compound (CHEBI:36963)
IUPAC Name
6-benzyl-1,4-dimethyl-3-propan-2-yl-1,4-diazepane-2,5,7-trione
Manual Xref Database
29215052 ChemSpider
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