EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216767 - Astepyrazinol B

ChEBI IDCHEBI:216767
ChEBI NameAstepyrazinol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H23N3O3
Net Charge0
Average Mass353.422
Monoisotopic Mass353.17394
SMILESCOc1nc(C)c(=O)nc1C[C@@H]1C(=O)Nc2c(CC=C(C)C)cccc21
InChIInChI=1S/C20H23N3O3/c1-11(2)8-9-13-6-5-7-14-15(19(25)23-17(13)14)10-16-20(26-4)21-12(3)18(24)22-16/h5-8,15H,9-10H2,1-4H3,(H,22,24)(H,23,25)/t15-/m0/s1
InChIKeyLAOHAYZUWBZGOI-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2020.131496)
ChEBI Ontology
Outgoing Relation(s)
Astepyrazinol B (CHEBI:216767) is a indoles (CHEBI:24828)
IUPAC Name 
(3S)-3-[(3-methoxy-5-methyl-6-oxo-1H-pyrazin-2-yl)methyl]-7-(3-methylbut-2-enyl)-1,3-dihydroindol-2-one