EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:224669 - Notoamide J

ChEBI IDCHEBI:224669
ChEBI NameNotoamide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O4
Net Charge0
Average Mass383.448
Monoisotopic Mass383.18451
SMILESC=CC(C)(C)[C@]1(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)C(=O)Nc2cc(O)ccc21
InChIInChI=1S/C21H25N3O4/c1-4-20(2,3)21(13-8-7-12(25)10-14(13)23-19(21)28)11-15-18(27)24-9-5-6-16(24)17(26)22-15/h4,7-8,10,15-16,25H,1,5-6,9,11H2,2-3H3,(H,22,26)(H,23,28)/t15-,16-,21-/m0/s1
InChIKeyYTISGDQKEGUAFL-QYWGDWMGSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (19053517)
ChEBI Ontology
Outgoing Relation(s)
Notoamide J (CHEBI:224669) has functional parent α-amino acid (CHEBI:33704)
Notoamide J (CHEBI:224669) is a organonitrogen compound (CHEBI:35352)
Notoamide J (CHEBI:224669) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,8aS)-3-[[(3S)-6-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Manual XrefsDatabases
23344411ChemSpider