EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189396 - TCMDC-138263

ChEBI IDCHEBI:189396
ChEBI NameTCMDC-138263
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H37N3O3
Net Charge0
Average Mass475.633
Monoisotopic Mass475.28349
SMILESCCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2c1nc1ccc(O)cc21
InChIInChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3
InChIKeyJRVWIILYWSBUMC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
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)
TCMDC-138263 (CHEBI:189396) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
Manual XrefsDatabases
525582ChemSpider