CHEBI:219628 - Brevianamide D

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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 Brevianamide D
ChEBI ID CHEBI:219628
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H23N3O3
Net Charge 0
Average Mass 365.433
Monoisotopic Mass 365.17394
InChI InChI=1S/C21H23N3O3/c1-12(2)14-10-20(11-16-17(25)13-6-3-4-7-15(13)22-16)19(27)24-9-5-8-21(14,24)18(26)23-20/h3-4,6-7,11-12,14,22H,5,8-10H2,1-2H3,(H,23,26)/b16-11+/t14-,20?,21?/m0/s1
InChIKey VUYPQWOUMOQTJW-PBPZTOGNSA-N
SMILES O=C1N2C3(C(=O)NC1(/C=C\4/NC=5C=CC=CC5C4=O)C[C@H]3C(C)C)CCC2
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing Brevianamide D (CHEBI:219628) has functional parent α-amino acid (CHEBI:33704)
Brevianamide D (CHEBI:219628) is a organonitrogen compound (CHEBI:35352)
Brevianamide D (CHEBI:219628) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(10S)-7-[(E)-(3-oxo-1H-indol-2-ylidene)methyl]-10-propan-2-yl-5,8-diazatricyclo[5.2.2.01,5]undecane-6,9-dione
Manual Xref Database
58817138 ChemSpider
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