EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216997 - Griseofamine B

ChEBI IDCHEBI:216997
ChEBI NameGriseofamine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20N2O3
Net Charge0
Average Mass336.391
Monoisotopic Mass336.14739
SMILESCC(=O)C1=C(O)[C@@H]2Cc3cnc4cccc(c34)[C@@H](C=C(C)C)N2C1=O
InChIInChI=1S/C20H20N2O3/c1-10(2)7-15-13-5-4-6-14-18(13)12(9-21-14)8-16-19(24)17(11(3)23)20(25)22(15)16/h4-7,9,15-16,21,24H,8H2,1-3H3/t15-,16+/m1/s1
InChIKeyNZIXIWLXGCTHNZ-CVEARBPZSA-N
Species of MetaboliteComponentSourceComments
Penicillium griseofulvum (ncbitaxon:5078) - PubMed (29578716)
ChEBI Ontology
Outgoing Relation(s)
Griseofamine B (CHEBI:216997) is a benzazepine (CHEBI:35676)
IUPAC Name 
(2R,7S)-5-acetyl-6-hydroxy-2-(2-methylprop-1-enyl)-3,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),5,9,12,14-pentaen-4-one
Manual XrefsDatabases
78439358ChemSpider