EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202934 - BE-54017

ChEBI IDCHEBI:202934
ChEBI NameBE-54017
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H18ClN3O5
Net Charge0
Average Mass451.866
Monoisotopic Mass451.09350
SMILESCOc1c2n(c3ccccc13)[C@]1(O)C(=O)N(C)C(=O)[C@]1(O)c1c-2n(C)c2ccc(Cl)cc12
InChIInChI=1S/C23H18ClN3O5/c1-25-14-9-8-11(24)10-13(14)16-17(25)18-19(32-3)12-6-4-5-7-15(12)27(18)23(31)21(29)26(2)20(28)22(16,23)30/h4-10,30-31H,1-3H3/t22-,23+/m1/s1
InChIKeyIZWAXTFKQJBRQO-PKTZIBPZSA-N
ChEBI Ontology
Outgoing Relation(s)
BE-54017 (CHEBI:202934) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(11S,15R)-7-chloro-11,15-dihydroxy-23-methoxy-3,13-dimethyl-3,13,16-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(23),2(10),4(9),5,7,17,19,21-octaene-12,14-dione
Manual XrefsDatabases
32701083ChemSpider