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CHEBI:211116 - Microsphaerol

ChEBI IDCHEBI:211116
ChEBI NameMicrosphaerol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H21Cl3O5
Net Charge0
Average Mass483.775
Monoisotopic Mass482.04546
SMILESCOc1c(O)c(O)cc(Oc2c(C)c(C)c(Oc3c(C)cccc3Cl)c(C)c2Cl)c1Cl
InChIInChI=1S/C23H21Cl3O5/c1-10-7-6-8-14(24)20(10)31-21-11(2)12(3)22(17(25)13(21)4)30-16-9-15(27)19(28)23(29-5)18(16)26/h6-9,27-28H,1-5H3
InChIKeyNEHFAEVGPMAOKI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsisspecies (ncbitaxon:1874263) - PubMed (25676510)
ChEBI Ontology
Outgoing Relation(s)
Microsphaerol (CHEBI:211116) is a aromatic ether (CHEBI:35618)
IUPAC Name 
4-chloro-5-[2-chloro-4-(2-chloro-6-methylphenoxy)-3,5,6-trimethylphenoxy]-3-methoxybenzene-1,2-diol
Manual XrefsDatabases
78434983ChemSpider