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CHEBI:223926 - Roseobacticide D

ChEBI IDCHEBI:223926
ChEBI NameRoseobacticide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O3S2
Net Charge0
Average Mass316.403
Monoisotopic Mass316.02279
SMILESCSSc1cccc2c(-c3ccc(O)cc3)c(=O)oc-2c1
InChIInChI=1S/C16H12O3S2/c1-20-21-12-3-2-4-13-14(9-12)19-16(18)15(13)10-5-7-11(17)8-6-10/h2-9,17H,1H3
InChIKeyFZKVBWDGYLUHKN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phaeobacter gallaeciensis (ncbitaxon:60890) - PubMed (21928816)
ChEBI Ontology
Outgoing Relation(s)
Roseobacticide D (CHEBI:223926) is a cycloheptafuran (CHEBI:39435)
IUPAC Name 
3-(4-hydroxyphenyl)-7-(methyldisulanyl)cyclohepta[b]uran-2-one
Manual XrefsDatabases
78435046ChemSpider