EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181027 - Methyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate

ChEBI IDCHEBI:181027
ChEBI NameMethyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O8
Net Charge0
Average Mass380.393
Monoisotopic Mass380.14712
SMILESCOC(=O)c1c(C)cc(O)c(C)c1OC1C(=O)C(C)=C(O)C(O)C1(C)OC
InChIInChI=1S/C19H24O8/c1-8-7-11(20)9(2)15(12(8)18(24)25-5)27-17-14(22)10(3)13(21)16(23)19(17,4)26-6/h7,16-17,20-21,23H,1-6H3
InChIKeyGJGRGJCMJUMZKN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Methyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate (CHEBI:181027) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
methyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate
Manual XrefsDatabases
22369750ChemSpider