CHEBI:211116 - Microsphaerol

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 Microsphaerol
ChEBI ID CHEBI:211116
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H21Cl3O5
Net Charge 0
Average Mass 483.770
Monoisotopic Mass 482.04546
InChI InChI=1S/C23H21Cl3O5/c1-10-7-6-8-14(24)20(10)31-21-11(2)12(3)22(17(25)13(21)4)30-16-9-15(27)19(28)23(29-5)18(16)26/h6-9,27-28H,1-5H3
InChIKey NEHFAEVGPMAOKI-UHFFFAOYSA-N
SMILES ClC1=C(OC)C(O)=C(O)C=C1OC2=C(Cl)C(=C(OC3=C(Cl)C=CC=C3C)C(=C2C)C)C
Metabolite of Species Details
Microsphaeropsisspecies (NCBI:txid1874263) See: PubMed
ChEBI Ontology
Outgoing Microsphaerol (CHEBI:211116) is a aromatic ether (CHEBI:35618)
IUPAC Name
4-chloro-5-[2-chloro-4-(2-chloro-6-methylphenoxy)-3,5,6-trimethylphenoxy]-3-methoxybenzene-1,2-diol
Manual Xref Database
78434983 ChemSpider
View more database links