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CHEBI:177778 - Phenyl D-glucopyranosiduronic acid

ChEBI IDCHEBI:177778
ChEBI NamePhenyl D-glucopyranosiduronic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O7
Net Charge0
Average Mass270.237
Monoisotopic Mass270.07395
SMILESO=C(O)[C@H]1OC(Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12?/m0/s1
InChIKeyWVHAUDNUGBNUDZ-SDQGTYQYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Phenyl D-glucopyranosiduronic acid (CHEBI:177778) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0059806HMDB
106521ChemSpider
Registry NumbersSources
CAS:16063-67-5ChemIDplus