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CHEBI:198163 - Roseobacticide E

ChEBI IDCHEBI:198163
ChEBI NameRoseobacticide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O2S2
Net Charge0
Average Mass300.404
Monoisotopic Mass300.02787
SMILESCSSc1cccc2c(-c3ccccc3)c(=O)oc-2c1
InChIInChI=1S/C16H12O2S2/c1-19-20-12-8-5-9-13-14(10-12)18-16(17)15(13)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyFAJBPAJIEYOYNL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phaeobacter gallaeciensis (ncbitaxon:60890) - PubMed (21928816)
ChEBI Ontology
Outgoing Relation(s)
Roseobacticide E (CHEBI:198163) is a cycloheptafuran (CHEBI:39435)
IUPAC Name 
7-(methyldisulanyl)-3-phenylcyclohepta[b]uran-2-one
Manual XrefsDatabases
78434611ChemSpider