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CHEBI:57516 - deoxylimononate D-ring-lactone(2−)

ChEBI IDCHEBI:57516
ChEBI Namedeoxylimononate D-ring-lactone(2−)
Stars
ASCII Namedeoxylimononate D-ring-lactone(2-)
DefinitionDianion of deoxylimonoic acid D-ring-lactone arising from deprotonation of both carboxy groups.
Last Modified13 November 2017
DownloadsMolfile
FormulaC26H32O9
Net Charge-2
Average Mass488.533
Monoisotopic Mass488.20573
SMILES[H][C@]1([C@]2(CO)[C@@]([H])(CC(=O)[O-])C(C)(C)O[C@@]2([H])CC(=O)[O-])CC[C@]2(C)C(=C1C)CC(=O)O[C@H]2c1ccoc1
InChIInChI=1S/C26H34O9/c1-14-16(5-7-25(4)17(14)9-22(32)34-23(25)15-6-8-33-12-15)26(13-27)18(10-20(28)29)24(2,3)35-19(26)11-21(30)31/h6,8,12,16,18-19,23,27H,5,7,9-11,13H2,1-4H3,(H,28,29)(H,30,31)/p-2/t16-,18-,19-,23-,25+,26+/m0/s1
InChIKeyBQKCYOXFBVKBDA-DYNITIQCSA-L
ChEBI Ontology
Outgoing Relation(s)
deoxylimononate D-ring-lactone(2−) (CHEBI:57516) is a dicarboxylic acid dianion (CHEBI:28965)
deoxylimononate D-ring-lactone(2−) (CHEBI:57516) is conjugate base of deoxylimonoic acid D-ring-lactone (CHEBI:15787)
Incoming Relation(s)
deoxylimonoic acid D-ring-lactone (CHEBI:15787) is conjugate acid of deoxylimononate D-ring-lactone(2−) (CHEBI:57516)
IUPAC Name 
2,2'-[(2S,3R,4R)-3-[(1R,6S,8aR)-1-(3-furyl)-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-6-yl]-3-(hydroxymethyl)-5,5-dimethyltetrahydrofuran-2,4-diyl]diacetate
Synonym  Source
deoxylimononate D-ring-lactone dianionChEBI
UniProt Name  Source
deoxylimononate D-ring-lactoneUniProt