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CHEBI:206473 - 9xi-O-2(2,3-dimethylbut-3-enyl)brevianamide Q

ChEBI IDCHEBI:206473
ChEBI Name9xi-O-2(2,3-dimethylbut-3-enyl)brevianamide Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O3
Net Charge0
Average Mass447.579
Monoisotopic Mass447.25219
SMILESC=CC(C)(C)c1nc2ccccc2c1C=C1NC(=O)[C@@]2(OC(C)(C)C(=C)C)CCCN2C1=O
InChIInChI=1S/C27H33N3O3/c1-8-25(4,5)22-19(18-12-9-10-13-20(18)28-22)16-21-23(31)30-15-11-14-27(30,24(32)29-21)33-26(6,7)17(2)3/h8-10,12-13,16,28H,1-2,11,14-15H2,3-7H3,(H,29,32)/t27-/m0/s1
InChIKeyFRBBRXZVWXUWHM-MHZLTWQESA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (22363226)
ChEBI Ontology
Outgoing Relation(s)
9xi-O-2(2,3-dimethylbut-3-enyl)brevianamide Q (CHEBI:206473) has functional parent α-amino acid (CHEBI:33704)
9xi-O-2(2,3-dimethylbut-3-enyl)brevianamide Q (CHEBI:206473) is a organonitrogen compound (CHEBI:35352)
9xi-O-2(2,3-dimethylbut-3-enyl)brevianamide Q (CHEBI:206473) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
8a-(2,3-dimethylbut-3-en-2-yloxy)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-1,4-dione
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