CHEBI:199510 - Rubetauphelin B

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 Rubetauphelin B
ChEBI ID CHEBI:199510
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H12Cl4O6
Net Charge 0
Average Mass 478.100
Monoisotopic Mass 475.93880
InChI InChI=1S/C19H12Cl4O6/c1-27-19-15(28-17-11(20)2-8(24)3-12(17)21)6-10(26)7-16(19)29-18-13(22)4-9(25)5-14(18)23/h2-7,24-26H,1H3
InChIKey ALMDQMGOXZIFQI-UHFFFAOYSA-N
SMILES ClC1=C(OC2=C(OC)C(OC3=C(Cl)C=C(O)C=C3Cl)=CC(=C2)O)C(Cl)=CC(=C1)O
Metabolite of Species Details
Russula subnigricans (NCBI:txid258989) See: PubMed
ChEBI Ontology
Outgoing Rubetauphelin B (CHEBI:199510) is a aromatic ether (CHEBI:35618)
IUPAC Name
3,5-bis(2,6-dichloro-4-hydroxyphenoxy)-4-methoxyphenol
Manual Xref Database
8158089 ChemSpider
View more database links