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CHEBI:197777 - (3S)-(3',5'-dihydroxyphenyl)butan-2-one

ChEBI IDCHEBI:197777
ChEBI Name(3S)-(3',5'-dihydroxyphenyl)butan-2-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O3
Net Charge0
Average Mass180.203
Monoisotopic Mass180.07864
SMILESCC(=O)[C@@H](C)c1cc(O)cc(O)c1
InChIInChI=1S/C10H12O3/c1-6(7(2)11)8-3-9(12)5-10(13)4-8/h3-6,12-13H,1-2H3/t6-/m1/s1
InChIKeyFRFPBNSSHPTWHO-ZCFIWIBFSA-N
Species of MetaboliteComponentSourceComments
Coniothyriumspecies (ncbitaxon:1756115) - PubMed (9917295)
ChEBI Ontology
Outgoing Relation(s)
(3S)-(3',5'-dihydroxyphenyl)butan-2-one (CHEBI:197777) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
(3S)-3-(3,5-dihydroxyphenyl)butan-2-one
Manual XrefsDatabases
8437179ChemSpider