CHEBI:204434 - Brevianamide O

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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 O
ChEBI ID CHEBI:204434
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H23N3O4
Net Charge 0
Average Mass 393.443
Monoisotopic Mass 393.16886
InChI InChI=1S/C22H23N3O4/c1-3-14(2)22(28)21-23-19-16(11-7-8-12-29-19)20(27)25(21)17(18(26)24-22)13-15-9-5-4-6-10-15/h4-12,14,17,28H,3,13H2,1-2H3,(H,24,26)/t14?,17-,22-/m0/s1
InChIKey QSTWWSSMFYPLHS-GXNUKWMWSA-N
SMILES O=C1N2C(=NC3=C1C=CC=CO3)[C@](O)(NC([C@@H]2CC4=CC=CC=C4)=O)C(CC)C
Metabolite of Species Details
Aspergillus versicolor (NCBI:txid46472) See: DOI
ChEBI Ontology
Outgoing Brevianamide O (CHEBI:204434) is a pyrimidone (CHEBI:38337)
IUPAC Name
(4S,7S)-7-benzyl-4-butan-2-yl-4-hydroxy-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Manual Xref Database
28288139 ChemSpider
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