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CHEBI:58024 - deoxylimonoate

ChEBI IDCHEBI:58024
ChEBI Namedeoxylimonoate
Stars
DefinitionThe conjugate base of deoxylimonoic acid; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC26H31O8
Net Charge-1
Average Mass471.526
Monoisotopic Mass471.20244
SMILES[H][C@]1([C@@]23COC(=O)C[C@]2([H])OC(C)(C)[C@]3([H])CC(=O)[O-])CC[C@]2(C)C(=C1C)CC(=O)O[C@@]2([H])c1ccoc1
InChIInChI=1S/C26H32O8/c1-14-16(5-7-25(4)17(14)9-22(30)33-23(25)15-6-8-31-12-15)26-13-32-21(29)11-19(26)34-24(2,3)18(26)10-20(27)28/h6,8,12,16,18-19,23H,5,7,9-11,13H2,1-4H3,(H,27,28)/p-1/t16-,18-,19-,23-,25+,26+/m0/s1
InChIKeyNLNLACOJSWLNHE-DYNITIQCSA-M
ChEBI Ontology
Outgoing Relation(s)
deoxylimonoate (CHEBI:58024) is a monocarboxylic acid anion (CHEBI:35757)
deoxylimonoate (CHEBI:58024) is conjugate base of deoxylimonoic acid (CHEBI:17133)
Incoming Relation(s)
deoxylimonoic acid (CHEBI:17133) is conjugate acid of deoxylimonoate (CHEBI:58024)
IUPAC Name 
{(3R,3aR,7aS)-3a-[(1R,6S,8aR)-1-furan-3-yl-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-isochromen-6-yl]-2,2-dimethyl-6-oxohexahydro-4H-furo[3,2-c]pyran-3-yl}acetate
Synonyms  Source
deoxylimonoate(1−)ChEBI
deoxylimonoate anionChEBI
UniProt Name  Source
deoxylimonoateUniProt