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CHEBI:85935 - (3S)-isoflavanone

ChEBI IDCHEBI:85935
ChEBI Name(3S)-isoflavanone
Stars
ASCII Name(3S)-isoflavanone
DefinitionThe (3S)-enantiomer of isoflavanone.
Last Modified4 June 2015
Submitternamrata
DownloadsMolfile
FormulaC15H12O2
Net Charge0
Average Mass224.259
Monoisotopic Mass224.08373
SMILESO=C1c2ccccc2OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2/t13-/m1/s1
InChIKeyRTRZOHKLISMNRD-CYBMUJFWSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-isoflavanone (CHEBI:85935) is a isoflavanone (CHEBI:27945)
Incoming Relation(s)
cajanol (CHEBI:70034) has functional parent (3S)-isoflavanone (CHEBI:85935)
IUPAC Name 
(3S)-3-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
Registry NumbersSources
Reaxys:23579349Reaxys