EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181953 - N1-Hydroxy-roquefortine C

ChEBI IDCHEBI:181953
ChEBI NameN1-Hydroxy-roquefortine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23N5O3
Net Charge0
Average Mass405.458
Monoisotopic Mass405.18009
SMILESC=CC(C)(C)C12CC3C(=O)N/C(=C/c4cncn4)C(=O)N3C1N(O)c1ccccc12
InChIInChI=1S/C22H23N5O3/c1-4-21(2,3)22-10-17-18(28)25-15(9-13-11-23-12-24-13)19(29)26(17)20(22)27(30)16-8-6-5-7-14(16)22/h4-9,11-12,17,20,30H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b15-9+
InChIKeyNNCYWYKIMLRIRQ-OQLLNIDSSA-N
ChEBI Ontology
Outgoing Relation(s)
N1-Hydroxy-roquefortine C (CHEBI:181953) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(4E)-16-hydroxy-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual XrefsDatabases
C22169KEGG COMPOUND