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CHEBI:142810 - 3-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester

ChEBI IDCHEBI:142810
ChEBI Name3-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester
Stars
DefinitionMajor species at pH 7.3. Published in http://dx.doi.org/10.1016/j.tet.2013.07.029
Last Modified27 February 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H37O4
Net Charge-1
Average Mass413.578
Monoisotopic Mass413.26973
SMILESCOC(=O)C1=C(C)[C@@](C)(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)C(C)=C1[O-]
InChIInChI=1S/C26H38O4/c1-17(2)11-9-12-18(3)13-10-14-19(4)15-16-26(7)21(6)22(25(29)30-8)23(27)20(5)24(26)28/h11,13,15,27H,9-10,12,14,16H2,1-8H3/p-1/b18-13+,19-15+/t26-/m1/s1
InChIKeyMOEIIOVGJZQERK-KZSXVGMBSA-M
ChEBI Ontology
Outgoing Relation(s)
3-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester (CHEBI:142810) is a enolate (CHEBI:142839)
UniProt Name  Source
3-farnesyl-2,3,5-trimethyl-6-hydroxy-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl esterUniProt