EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:80674 - O-Methylandrocymbine

Default Structure
ChEBI IDCHEBI:80674
ChEBI NameO-Methylandrocymbine
Stars
DownloadsMolfile
FormulaC22H27NO5
Net Charge0
Average Mass385.460
Monoisotopic Mass385.18892
SMILESCOC1=C[C@@]23CCN(C)[C@@H](CCc4cc(OC)c(OC)c(OC)c42)C3=CC1=O
InChIInChI=1S/C22H27NO5/c1-23-9-8-22-12-18(26-3)16(24)11-14(22)15(23)7-6-13-10-17(25-2)20(27-4)21(28-5)19(13)22/h10-12,15H,6-9H2,1-5H3/t15-,22+/m0/s1
InChIKeyAYPIIWGCGUQVNZ-OYHNWAKOSA-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)
O-Methylandrocymbine (CHEBI:80674) is a isoquinoline alkaloid (CHEBI:24921)
Manual XrefsDatabases
C16709KEGG COMPOUND