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CHEBI:225317 - Roseobacticide I

ChEBI IDCHEBI:225317
ChEBI NameRoseobacticide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H14O3S
Net Charge0
Average Mass346.407
Monoisotopic Mass346.06637
SMILESO=c1oc2cc(Sc3ccc(O)cc3)cccc-2c1-c1ccccc1
InChIInChI=1S/C21H14O3S/c22-15-9-11-16(12-10-15)25-17-7-4-8-18-19(13-17)24-21(23)20(18)14-5-2-1-3-6-14/h1-13,22H
InChIKeyRYRPTUOWESQQKQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phaeobacter gallaeciensis (ncbitaxon:60890) - PubMed (21928816)
ChEBI Ontology
Outgoing Relation(s)
Roseobacticide I (CHEBI:225317) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
7-(4-hydroxyphenyl)sulanyl-3-phenylcyclohepta[b]uran-2-one
Manual XrefsDatabases
78434932ChemSpider