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CHEBI:185629 - Dehydroaporheine

ChEBI IDCHEBI:185629
ChEBI NameDehydroaporheine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H15NO2
Net Charge0
Average Mass277.323
Monoisotopic Mass277.11028
SMILESCN1CCc2cc3c(c4c2c1cc1ccccc14)OCO3
InChIInChI=1S/C18H15NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,8-9H,6-7,10H2,1H3
InChIKeyYUWBTKIVDAWQHK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
Dehydroaporheine (CHEBI:185629) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene
Manual XrefsDatabases
HMDB0033355HMDB
142190ChemSpider
Registry NumbersSources
CAS:36285-03-7ChemIDplus