CHEBI:210355 - Spiromastol A

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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 A
ChEBI ID CHEBI:210355
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H19Cl3O4
Net Charge 0
Average Mass 405.700
Monoisotopic Mass 404.03489
InChI InChI=1S/C18H19Cl3O4/c1-3-5-9-7-13(16(21)17(24)14(9)19)25-18-10(6-4-2)15(20)11(22)8-12(18)23/h7-8,22-24H,3-6H2,1-2H3
InChIKey IAXYDKDNACGYIT-UHFFFAOYSA-N
SMILES ClC1=C(O)C(Cl)=C(CCC)C=C1OC2=C(O)C=C(O)C(=C2CCC)Cl
Metabolite of Species Details
Spiromastigoides (NCBI:txid37234) See: PubMed
ChEBI Ontology
Outgoing Spiromastol A (CHEBI:210355) is a aromatic ether (CHEBI:35618)
IUPAC Name
4-chloro-6-(2,4-dichloro-3-hydroxy-5-propylphenoxy)-5-propylbenzene-1,3-diol
Manual Xref Database
35516939 ChemSpider
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