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CHEBI:199166 - Roseobacticide J

ChEBI IDCHEBI:199166
ChEBI NameRoseobacticide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H18O4S2
Net Charge0
Average Mass506.604
Monoisotopic Mass506.06465
SMILESO=c1oc2cc(SSc3cccc4c(-c5ccccc5)c(=O)oc-4c3)cccc-2c1-c1ccccc1
InChIInChI=1S/C30H18O4S2/c31-29-27(19-9-3-1-4-10-19)23-15-7-13-21(17-25(23)33-29)35-36-22-14-8-16-24-26(18-22)34-30(32)28(24)20-11-5-2-6-12-20/h1-18H
InChIKeyQPDUQZVQQWTIIA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phaeobacter gallaeciensis (ncbitaxon:60890) - PubMed (21928816)
ChEBI Ontology
Outgoing Relation(s)
Roseobacticide J (CHEBI:199166) is a cycloheptafuran (CHEBI:39435)
IUPAC Name 
7-[(2-oxo-3-phenylcyclohepta[b]uran-7-yl)disulanyl]-3-phenylcyclohepta[b]uran-2-one
Manual XrefsDatabases
78434631ChemSpider