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CHEBI:230107 - Quadazocine

ChEBI IDCHEBI:230107
ChEBI NameQuadazocine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO2
Net Charge0
Average Mass383.576
Monoisotopic Mass383.28243
SMILESCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1C2(C)CCC(=O)CCC1CCCC1
InChIInChI=1S/C25H37NO2/c1-24-14-15-26(3)23(16-19-9-11-21(28)17-22(19)24)25(24,2)13-12-20(27)10-8-18-6-4-5-7-18/h9,11,17-18,23,28H,4-8,10,12-16H2,1-3H3/t23-,24+,25?/m1/s1
InChIKeyLOYWOYCPSWPKFH-CSIQULDISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Quadazocine (CHEBI:230107) is a benzazocine (CHEBI:39307)
IUPAC Name 
1-cyclopentyl-5-[(1S,9R)-4-hydroxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]pentan-3-one
Manual XrefsDatabases
102983ChemSpider