EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:64270 - cyclic dehypoxanthinylfutalosinate(1−)

ChEBI IDCHEBI:64270
ChEBI Namecyclic dehypoxanthinylfutalosinate(1−)
Stars
ASCII Namecyclic dehypoxanthinylfutalosinate(1-)
DefinitionA benzoate anion that is the conjugate base of cyclic dehypoxanthinylfutalosine, arising from deprotonation of the carboxy group; major species at pH 7.3.
Last Modified6 June 2012
SubmitterSteve
DownloadsMolfile
FormulaC14H13O7
Net Charge-1
Average Mass293.251
Monoisotopic Mass293.06668
SMILESO=C([O-])c1ccc2c(c1)C(=O)CC[C@@]21OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H14O7/c15-9-3-4-14(11(17)10(16)13(20)21-14)8-2-1-6(12(18)19)5-7(8)9/h1-2,5,10-11,13,16-17,20H,3-4H2,(H,18,19)/p-1/t10-,11+,13?,14-/m1/s1
InChIKeyBAUPPZJHTWBQAS-ZZWXXDIBSA-M
ChEBI Ontology
Outgoing Relation(s)
cyclic dehypoxanthinylfutalosinate(1−) (CHEBI:64270) has functional parent futalosinate (CHEBI:58863)
cyclic dehypoxanthinylfutalosinate(1−) (CHEBI:64270) is a benzoates (CHEBI:22718)
cyclic dehypoxanthinylfutalosinate(1−) (CHEBI:64270) is conjugate base of cyclic dehypoxanthinylfutalosine (CHEBI:64252)
Incoming Relation(s)
cyclic dehypoxanthinylfutalosine (CHEBI:64252) is conjugate acid of cyclic dehypoxanthinylfutalosinate(1−) (CHEBI:64270)
IUPAC Name 
(2R,3S,4R)-3,4,5-trihydroxy-4'-oxo-3',4,4',5-tetrahydro-2'H,3H-spiro[furan-2,1'-naphthalene]-6'-carboxylate
Synonym  Source
cyclic dehypoxanthinylfutalosinateChEBI
UniProt Name  Source
cyclic dehypoxanthinylfutalosinateUniProt
Manual XrefsDatabases
CPD-11419MetaCyc