EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2842 - Aromoline

ChEBI IDCHEBI:2842
ChEBI NameAromoline
Stars
Last Modified12 August 2016
DownloadsMolfile
FormulaC36H38N2O6
Net Charge0
Average Mass594.708
Monoisotopic Mass594.27299
SMILES[H][C@]12Cc3ccc(O)c(c3)Oc3ccc(cc3)C[C@]3([H])c4cc(c(O)c(OC)c4CCN3C)Oc3cc1c(cc3OC)CCN2C
InChIInChI=1S/C36H38N2O6/c1-37-13-11-23-18-32(41-3)33-19-26(23)28(37)16-22-7-10-30(39)31(17-22)43-24-8-5-21(6-9-24)15-29-27-20-34(44-33)35(40)36(42-4)25(27)12-14-38(29)2/h5-10,17-20,28-29,39-40H,11-16H2,1-4H3/t28-,29+/m0/s1
InChIKeyZVVVPJJQRQNTAT-URLMMPGGSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Aromoline (CHEBI:2842) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Aromoline (CHEBI:2842) is a isoquinolines (CHEBI:24922)
Synonym  Source
AromolineKEGG COMPOUND
Manual XrefsDatabases
C06514KEGG COMPOUND
C00001811KNApSAcK