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CHEBI:216142 - Crobetabyanol D

ChEBI IDCHEBI:216142
ChEBI NameCrobetabyanol D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H15Br7O9S
Net Charge0
Average Mass1110.836
Monoisotopic Mass1103.47204
SMILESO=S(=O)(O)Oc1ccc(Oc2cc(Br)c(Oc3ccc(O)c(Oc4ccc(Br)cc4Br)c3Br)c(Oc3ccc(Br)cc3Br)c2)cc1Br
InChIInChI=1S/C30H15Br7O9S/c31-14-1-5-23(18(33)9-14)43-27-13-17(42-16-3-7-25(20(35)11-16)46-47(39,40)41)12-21(36)29(27)45-26-8-4-22(38)30(28(26)37)44-24-6-2-15(32)10-19(24)34/h1-13,38H,(H,39,40,41)
InChIKeyFNJCBTVNRSOXTH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Leptolyngbya (ncbitaxon:47251) - PubMed (20170122)
ChEBI Ontology
Outgoing Relation(s)
Crobetabyanol D (CHEBI:216142) is a aromatic ether (CHEBI:35618)
Crobetabyanol D (CHEBI:216142) is a organobromine compound (CHEBI:37141)
IUPAC Name 
[2-bromo-4-[3-bromo-4-[2-bromo-3-(2,4-dibromophenoxy)-4-hydroxyphenoxy]-5-(2,4-dibromophenoxy)phenoxy]phenyl] hydrogen sulate
Manual XrefsDatabases
24671955ChemSpider