EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186609 - Dehydroanonaine

ChEBI IDCHEBI:186609
ChEBI NameDehydroanonaine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H13NO2
Net Charge0
Average Mass263.296
Monoisotopic Mass263.09463
SMILESc1ccc2c(c1)cc1c3c(cc4c(c32)OCO4)CCN1
InChIInChI=1S/C17H13NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,7-8,18H,5-6,9H2
InChIKeyVNNKFCMTGJUPOQ-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)
Dehydroanonaine (CHEBI:186609) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
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
30776825ChemSpider
HMDB0030350HMDB