EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203625 - (12R)-12-hydroxy-20-methoxy-N,3-dimethyl-11-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,14,16,18-octaene-12-carboxamide

ChEBI IDCHEBI:203625
ChEBI Name(12R)-12-hydroxy-20-methoxy-N,3-dimethyl-11-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,14,16,18-octaene-12-carboxamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H19N3O4
Net Charge0
Average Mass389.411
Monoisotopic Mass389.13756
SMILESCNC(=O)[C@]1(O)C(=O)c2c(n(C)c3ccccc23)-c2c(OC)c3ccccc3n21
InChIInChI=1S/C22H19N3O4/c1-23-21(27)22(28)20(26)16-12-8-4-6-10-14(12)24(2)17(16)18-19(29-3)13-9-5-7-11-15(13)25(18)22/h4-11,28H,1-3H3,(H,23,27)/t22-/m1/s1
InChIKeyKUKRHGKLVREPME-JOCHJYFZSA-N
ChEBI Ontology
Outgoing Relation(s)
(12R)-12-hydroxy-20-methoxy-N,3-dimethyl-11-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,14,16,18-octaene-12-carboxamide (CHEBI:203625) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(12R)-12-hydroxy-20-methoxy-N,3-dimethyl-11-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,14,16,18-octaene-12-carboxamide
Manual XrefsDatabases
78439668ChemSpider