EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169060 - 14,19-Dihydroaspidospermatine

ChEBI IDCHEBI:169060
ChEBI Name14,19-Dihydroaspidospermatine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28N2O2
Net Charge0
Average Mass340.467
Monoisotopic Mass340.21508
SMILESCCC1C2CCN3CCC4(c5cccc(OC)c5N(C(C)=O)C4C2)C13
InChIInChI=1S/C21H28N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h5-7,14-15,18,20H,4,8-12H2,1-3H3
InChIKeyKNCZYJAUVPNGON-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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)
14,19-Dihydroaspidospermatine (CHEBI:169060) is a alkaloid (CHEBI:22315)
IUPAC Name 
1-(18-ethyl-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl)ethanone
Manual XrefsDatabases
35013184ChemSpider
HMDB0030359HMDB