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CHEBI:207584 - Crobetabyanol C

ChEBI IDCHEBI:207584
ChEBI NameCrobetabyanol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H15Br7O9S
Net Charge0
Average Mass1110.836
Monoisotopic Mass1103.47204
SMILESO=S(=O)(O)Oc1ccc(Oc2c(Br)cc(Oc3ccc(O)c(Br)c3)cc2Oc2ccc(Br)cc2Br)c(Br)c1Oc1ccc(Br)cc1Br
InChIInChI=1S/C30H15Br7O9S/c31-14-1-5-23(19(34)9-14)43-27-13-17(42-16-3-4-22(38)18(33)11-16)12-21(36)29(27)45-25-7-8-26(46-47(39,40)41)30(28(25)37)44-24-6-2-15(32)10-20(24)35/h1-13,38H,(H,39,40,41)
InChIKeyZEPFKNVSWFBTOK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Leptolyngbya (ncbitaxon:47251) - PubMed (20170122)
ChEBI Ontology
Outgoing Relation(s)
Crobetabyanol C (CHEBI:207584) is a aromatic ether (CHEBI:35618)
Crobetabyanol C (CHEBI:207584) is a organobromine compound (CHEBI:37141)
IUPAC Name 
[3-bromo-4-[2-bromo-4-(3-bromo-4-hydroxyphenoxy)-6-(2,4-dibromophenoxy)phenoxy]-2-(2,4-dibromophenoxy)phenyl] hydrogen sulate
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