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CHEBI:188060 - Acetylcorynoline

ChEBI IDCHEBI:188060
ChEBI NameAcetylcorynoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H23NO6
Net Charge0
Average Mass409.438
Monoisotopic Mass409.15254
SMILES[H][C@@]12c3cc4c(cc3C[C@H](OC(C)=O)[C@]1(C)c1ccc3c(c1CN2C)OCO3)OCO4
InChIInChI=1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3/t20-,22+,23-/m0/s1
InChIKeyPUHCFWFODBLSAP-WWNPGLIZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
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)
Acetylcorynoline (CHEBI:188060) is a benzophenanthridine alkaloid (CHEBI:38517)
IUPAC Name 
[(1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] acetate
Manual XrefsDatabases
154160ChemSpider
Registry NumbersSources
CAS:18797-80-3ChemIDplus