CHEBI:224669 - Notoamide J

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Notoamide J
ChEBI ID CHEBI:224669
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H25N3O4
Net Charge 0
Average Mass 383.448
Monoisotopic Mass 383.18451
InChI InChI=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
InChIKey YTISGDQKEGUAFL-QYWGDWMGSA-N
SMILES O=C1N2[C@H](C(=O)N[C@H]1C[C@]3(C(=O)NC4=C3C=CC(=C4)O)C(C=C)(C)C)CCC2
Metabolite of Species Details
Aspergillusspecies (NCBI:txid5065) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
23344411 ChemSpider
View more database links