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CHEBI:229008 - 3-Epischelhammericine

ChEBI IDCHEBI:229008
ChEBI Name3-Epischelhammericine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23NO3
Net Charge0
Average Mass313.397
Monoisotopic Mass313.16779
SMILESCOC1CC=C2CCN3CCCc4c(ccc5c4OCO5)C23C1
InChIInChI=1S/C19H23NO3/c1-21-14-5-4-13-8-10-20-9-2-3-15-16(19(13,20)11-14)6-7-17-18(15)23-12-22-17/h4,6-7,14H,2-3,5,8-12H2,1H3
InChIKeyINWABDLQHCTFEM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
3-Epischelhammericine (CHEBI:229008) is a alkaloid (CHEBI:22315)
IUPAC Name 
20-methoxy-6,8-dioxa-14-azapentacyclo[12.7.0.01,17.02,10.05,9]henicosa-2(10),3,5(9),17-tetraene
Manual XrefsDatabases
4476030ChemSpider