EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210165 - Monomethylsulochrin-4-sulphate

ChEBI IDCHEBI:210165
ChEBI NameMonomethylsulochrin-4-sulphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O10S
Net Charge0
Average Mass440.426
Monoisotopic Mass440.07772
SMILESCOC(=O)c1cc(OS(=O)(=O)O)cc(OC)c1C(=O)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C19H20O10S/c1-10-6-13(25-2)17(14(7-10)26-3)18(20)16-12(19(21)28-5)8-11(9-15(16)27-4)29-30(22,23)24/h6-9H,1-5H3,(H,22,23,24)
InChIKeyDAOCGGYTJPNNGC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32640519)
ChEBI Ontology
Outgoing Relation(s)
Monomethylsulochrin-4-sulphate (CHEBI:210165) is a benzophenones (CHEBI:22726)
IUPAC Name 
methyl 2-(2,6-dimethoxy-4-methylbenzoyl)-3-methoxy-5-sulooxybenzoate