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CHEBI:191061 - 8-oxoerythraline

ChEBI IDCHEBI:191061
ChEBI Name8-oxoerythraline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H17NO4
Net Charge0
Average Mass311.337
Monoisotopic Mass311.11576
SMILESCO[C@H]1C=CC2=CC(=O)N3CCc4cc5c(cc4[C@]23C1)OCO5
InChIInChI=1S/C18H17NO4/c1-21-13-3-2-12-7-17(20)19-5-4-11-6-15-16(23-10-22-15)8-14(11)18(12,19)9-13/h2-3,6-8,13H,4-5,9-10H2,1H3/t13-,18-/m0/s1
InChIKeyRNCIERMYMLFYAO-UGSOOPFHSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
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)
8-oxoerythraline (CHEBI:191061) is a alkaloid (CHEBI:22315)
IUPAC Name 
(1S,19R)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaen-14-one
Manual XrefsDatabases
10227700ChemSpider
Registry NumbersSources
CAS:58779-40-1ChemIDplus