CHEBI:222452 - Spiromastol B

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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 Spiromastol B
ChEBI ID CHEBI:222452
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18Cl4O4
Net Charge 0
Average Mass 440.140
Monoisotopic Mass 437.99592
InChI InChI=1S/C18H18Cl4O4/c1-3-5-8-7-10(13(21)15(23)11(8)19)26-18-9(6-4-2)12(20)16(24)14(22)17(18)25/h7,23-25H,3-6H2,1-2H3
InChIKey IVGIJJIHAODWKE-UHFFFAOYSA-N
SMILES ClC1=C(O)C(Cl)=C(CCC)C(=C1O)OC2=C(Cl)C(O)=C(Cl)C(=C2)CCC
Metabolite of Species Details
Spiromastigoides (NCBI:txid37234) See: PubMed
ChEBI Ontology
Outgoing Spiromastol B (CHEBI:222452) is a aromatic ether (CHEBI:35618)
IUPAC Name
2,4-dichloro-6-(2,4-dichloro-3-hydroxy-5-propylphenoxy)-5-propylbenzene-1,3-diol
Manual Xref Database
35516940 ChemSpider
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