CHEBI:216142 - Crobetabyanol D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Crobetabyanol D
ChEBI ID CHEBI:216142
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H15Br7O9S
Net Charge 0
Average Mass 1110.830
Monoisotopic Mass 1103.47204
InChI InChI=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)
InChIKey FNJCBTVNRSOXTH-UHFFFAOYSA-N
SMILES BrC1=C(OC2=C(Br)C=C(Br)C=C2)C(O)=CC=C1OC3=C(Br)C=C(OC4=CC(Br)=C(OS(=O)(=O)O)C=C4)C=C3OC5=C(Br)C=C(Br)C=C5
Metabolite of Species Details
Leptolyngbya (NCBI:txid47251) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
24671955 ChemSpider
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