EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:3418 - Carinatine

ChEBI IDCHEBI:3418
ChEBI NameCarinatine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H21NO4
Net Charge0
Average Mass303.358
Monoisotopic Mass303.14706
SMILES[H][C@@]12C3=C[C@H](CO)[C@@H](O)[C@@]1([H])c1cc(O)c(OC)cc1CN2CC3
InChIInChI=1S/C17H21NO4/c1-22-14-5-10-7-18-3-2-9-4-11(8-19)17(21)15(16(9)18)12(10)6-13(14)20/h4-6,11,15-17,19-21H,2-3,7-8H2,1H3/t11-,15+,16-,17-/m1/s1
InChIKeyTZJUAPRPYXCUDU-GLZXHMCRSA-N
ChEBI Ontology
Outgoing Relation(s)
Carinatine (CHEBI:3418) is a phenanthridines (CHEBI:51245)
Synonym  Source
CarinatineKEGG COMPOUND
Manual XrefsDatabases
C08523KEGG COMPOUND
C00001567KNApSAcK
Registry NumbersSources
CAS:64937-89-9KEGG COMPOUND