CHEBI:209266 - Spiromastol C

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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 C
ChEBI ID CHEBI:209266
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H20Cl4O4
Net Charge 0
Average Mass 454.170
Monoisotopic Mass 452.01157
InChI InChI=1S/C19H20Cl4O4/c1-4-6-9-8-11(14(22)16(24)12(9)20)27-18-10(7-5-2)13(21)17(25)15(23)19(18)26-3/h8,24-25H,4-7H2,1-3H3
InChIKey XDYSSWKOELKWEX-UHFFFAOYSA-N
SMILES ClC1=C(OC)C(OC2=C(Cl)C(O)=C(Cl)C(=C2)CCC)=C(CCC)C(=C1O)Cl
Metabolite of Species Details
Spiromastigoides (NCBI:txid37234) See: PubMed
ChEBI Ontology
Outgoing Spiromastol C (CHEBI:209266) is a aromatic ether (CHEBI:35618)
IUPAC Name
2,6-dichloro-4-(2,4-dichloro-3-hydroxy-5-propylphenoxy)-3-methoxy-5-propylphenol
Manual Xref Database
35516941 ChemSpider
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