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CHEBI:6566 - lunarine

ChEBI IDCHEBI:6566
ChEBI Namelunarine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H31N3O4
Net Charge0
Average Mass437.540
Monoisotopic Mass437.23146
SMILES[H][C@@]12CC(=O)CC[C@@]13/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c1ccc(c3c1)O2
InChIInChI=1S/C25H31N3O4/c29-19-8-10-25-11-9-24(31)27-14-2-1-12-26-13-3-15-28-23(30)7-5-18-4-6-21(20(25)16-18)32-22(25)17-19/h4-7,9,11,16,22,26H,1-3,8,10,12-15,17H2,(H,27,31)(H,28,30)/b7-5+,11-9+/t22-,25+/m1/s1
InChIKeyYIWJEBPTHXRHQF-LLMLIWGDSA-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)
lunarine (CHEBI:6566) is a alkaloid fundamental parent (CHEBI:35506)
lunarine (CHEBI:6566) is a spermidine alkaloid (CHEBI:38524)
IUPAC Name 
lunarine
Synonym  Source
LunarineKEGG COMPOUND
Manual XrefsDatabases
C10603KEGG COMPOUND
C00002348KNApSAcK
Registry NumbersSources
Beilstein:62985Beilstein
CAS:24185-51-1KEGG COMPOUND
CAS:24185-51-1ChemIDplus