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CHEBI:217679 - Aphanorphine

ChEBI IDCHEBI:217679
ChEBI NameAphanorphine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO
Net Charge0
Average Mass203.285
Monoisotopic Mass203.13101
SMILESCN1C[C@@]2(C)C[C@@H]1Cc1ccc(O)cc12
InChIInChI=1S/C13H17NO/c1-13-7-10(14(2)8-13)5-9-3-4-11(15)6-12(9)13/h3-4,6,10,15H,5,7-8H2,1-2H3/t10-,13+/m0/s1
InChIKeyFVVVZSVINPVAIU-GXFFZTMASA-N
Species of MetaboliteComponentSourceComments
Aphanizomenon flos-aquae (ncbitaxon:1176) - DOI (10.1016/s0040-4039(00)80500-6)
ChEBI Ontology
Outgoing Relation(s)
Aphanorphine (CHEBI:217679) is a benzazepine (CHEBI:35676)
IUPAC Name 
(1S,9S)-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol
Manual XrefsDatabases
9358386ChemSpider