CHEBI:4345 - Decaline

ChEBI IDCHEBI:4345
ChEBI NameDecaline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H31NO5
Net Charge0
Average Mass437.536
Monoisotopic Mass437.22022
SMILES[H][C@]12C[C@]3([H])CCCCN3[C@@]([H])(C1)c1cc(OC)c(OC)cc1Oc1ccc(cc1)CCC(=O)O2
InChIInChI=1S/C26H31NO5/c1-29-24-15-21-22-14-20(13-18-5-3-4-12-27(18)22)32-26(28)11-8-17-6-9-19(10-7-17)31-23(21)16-25(24)30-2/h6-7,9-10,15-16,18,20,22H,3-5,8,11-14H2,1-2H3/t18-,20-,22-/m0/s1
InChIKeyPXXNTAGJWPJAGM-VCOUNFBDSA-N
ChEBI Ontology
Outgoing Relation(s)
Decaline (CHEBI:4345) is a macrolide (CHEBI:25106)
Synonym  Source
DecalineKEGG COMPOUND
Manual XrefsDatabases
C10589KEGG COMPOUND
C00002334KNApSAcK
Registry NumbersSources
CAS:14727-56-1KEGG COMPOUND