CHEBI:219224 - Rubetauphelol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Rubetauphelol
ChEBI ID CHEBI:219224
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H16Cl6O8
Net Charge 0
Average Mass 669.110
Monoisotopic Mass 665.89763
InChI InChI=1S/C26H16Cl6O8/c1-36-12-7-17(31)23(18(32)8-12)39-24-19(35)9-20(38-21-13(27)3-10(33)4-14(21)28)25(37-2)26(24)40-22-15(29)5-11(34)6-16(22)30/h3-9,33-35H,1-2H3
InChIKey HUAFIGQBWJPVNG-UHFFFAOYSA-N
SMILES ClC1=C(OC2=C(OC3=C(Cl)C=C(O)C=C3Cl)C(OC)=C(OC4=C(Cl)C=C(O)C=C4Cl)C=C2O)C(Cl)=CC(=C1)OC
Metabolite of Species Details
Russula (NCBI:txid5402) See: DOI
ChEBI Ontology
Outgoing Rubetauphelol (CHEBI:219224) is a aromatic ether (CHEBI:35618)
IUPAC Name
3,5-bis(2,6-dichloro-4-hydroxyphenoxy)-2-(2,6-dichloro-4-methoxyphenoxy)-4-methoxyphenol
Manual Xref Database
78435979 ChemSpider
View more database links