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CHEBI:169820 - [4-(2-phenylcyclobutyl)phenyl]oxidanesulfonic acid

ChEBI IDCHEBI:169820
ChEBI Name[4-(2-phenylcyclobutyl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O4S
Net Charge0
Average Mass304.367
Monoisotopic Mass304.07693
SMILESO=S(=O)(O)Oc1ccc(C2CCC2c2ccccc2)cc1
InChIInChI=1S/C16H16O4S/c17-21(18,19)20-14-8-6-13(7-9-14)16-11-10-15(16)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2,(H,17,18,19)
InChIKeyOTHADQSPTSPVSZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
[4-(2-phenylcyclobutyl)phenyl]oxidanesulfonic acid (CHEBI:169820) is a stilbenoid (CHEBI:26776)
IUPAC Name 
[4-(2-phenylcyclobutyl)phenyl] hydrogen sulate
Manual XrefsDatabases
HMDB0134573HMDB
74853610ChemSpider