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CHEBI:227390 - Crobetabyanol B

ChEBI IDCHEBI:227390
ChEBI NameCrobetabyanol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H15Br7O12S2
Net Charge0
Average Mass1190.900
Monoisotopic Mass1183.42885
SMILESO=S(=O)(O)Oc1ccc(Oc2cc(Br)c(Oc3ccc(OS(=O)(=O)O)c(Oc4ccc(Br)cc4Br)c3Br)c(Oc3ccc(Br)cc3Br)c2)cc1Br
InChIInChI=1S/C30H15Br7O12S2/c31-14-1-4-22(18(33)9-14)45-27-13-17(44-16-3-6-24(20(35)11-16)48-50(38,39)40)12-21(36)29(27)47-25-7-8-26(49-51(41,42)43)30(28(25)37)46-23-5-2-15(32)10-19(23)34/h1-13H,(H,38,39,40)(H,41,42,43)
InChIKeyPGLDWZUFBSDOEM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Leptolyngbya (ncbitaxon:47251) - PubMed (20170122)
ChEBI Ontology
Outgoing Relation(s)
Crobetabyanol B (CHEBI:227390) is a aromatic ether (CHEBI:35618)
Crobetabyanol B (CHEBI:227390) is a organobromine compound (CHEBI:37141)
IUPAC Name 
[2-bromo-4-[3-bromo-4-[2-bromo-3-(2,4-dibromophenoxy)-4-sulooxyphenoxy]-5-(2,4-dibromophenoxy)phenoxy]phenyl] hydrogen sulate
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