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CHEBI:93045 - 2,3,4,5-tetrabromo-6-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid

ChEBI IDCHEBI:93045
ChEBI Name2,3,4,5-tetrabromo-6-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid
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FormulaC20H8Br4O5
Net Charge0
Average Mass647.895
Monoisotopic Mass643.71052
SMILESO=C(O)c1c(Br)c(Br)c(Br)c(Br)c1-c1c2ccc(=O)cc-2oc2cc(O)ccc12
InChIInChI=1S/C20H8Br4O5/c21-16-14(15(20(27)28)17(22)19(24)18(16)23)13-9-3-1-7(25)5-11(9)29-12-6-8(26)2-4-10(12)13/h1-6,25H,(H,27,28)
InChIKeyMQGBYISSPZLIEZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,3,4,5-tetrabromo-6-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid (CHEBI:93045) is a xanthenes (CHEBI:38835)
Manual XrefsDatabases
LSM-3327LINCS