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CHEBI:2529 - Aknadicine

ChEBI IDCHEBI:2529
ChEBI NameAknadicine
Stars
Last Modified20 May 2016
DownloadsMolfile
FormulaC19H23NO5
Net Charge0
Average Mass345.395
Monoisotopic Mass345.15762
SMILESCOC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@]2(CCN3)CC1=O
InChIInChI=1S/C19H23NO5/c1-23-13-5-4-11-6-7-19-17(25-3)16(24-2)12(21)10-18(19,8-9-20-19)14(11)15(13)22/h4-5,20,22H,6-10H2,1-3H3/t18-,19+/m0/s1
InChIKeyKTRLYLXLXTXHPM-RBUKOAKNSA-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)
Aknadicine (CHEBI:2529) is a isoquinoline alkaloid (CHEBI:24921)
Synonym  Source
AknadicineKEGG COMPOUND
Manual XrefsDatabases
C09325KEGG COMPOUND
C00001793KNApSAcK
Registry NumbersSources
CAS:24148-89-8KEGG COMPOUND