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CHEBI:208136 - (+/-)-8-hydroxy-brevianamide R

ChEBI IDCHEBI:208136
ChEBI Name(+/-)-8-hydroxy-brevianamide R
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O4
Net Charge0
Average Mass395.459
Monoisotopic Mass395.18451
SMILESC=CC(C)(C)c1nc2ccccc2c1/C=C1\NC(=O)[C@]2(OC)[C@H](O)CCN2C1=O
InChIInChI=1S/C22H25N3O4/c1-5-21(2,3)18-14(13-8-6-7-9-15(13)23-18)12-16-19(27)25-11-10-17(26)22(25,29-4)20(28)24-16/h5-9,12,17,23,26H,1,10-11H2,2-4H3,(H,24,28)/b16-12-/t17-,22-/m1/s1
InChIKeyINUJBGLULOLOPI-NXUXXHQTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31052556)
ChEBI Ontology
Outgoing Relation(s)
(+/-)-8-hydroxy-brevianamide R (CHEBI:208136) has functional parent α-amino acid (CHEBI:33704)
(+/-)-8-hydroxy-brevianamide R (CHEBI:208136) is a organonitrogen compound (CHEBI:35352)
(+/-)-8-hydroxy-brevianamide R (CHEBI:208136) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3Z,8R,8aR)-8-hydroxy-8a-methoxy-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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