EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184973 - 3,4,5-trihydroxy-6-[(1-oxo-1H-isochromen-3-yl)methoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:184973
ChEBI Name3,4,5-trihydroxy-6-[(1-oxo-1H-isochromen-3-yl)methoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O9
Net Charge0
Average Mass352.295
Monoisotopic Mass352.07943
SMILESO=C(O)C1OC(OCc2cc3ccccc3c(=O)o2)C(O)C(O)C1O
InChIInChI=1S/C16H16O9/c17-10-11(18)13(14(20)21)25-16(12(10)19)23-6-8-5-7-3-1-2-4-9(7)15(22)24-8/h1-5,10-13,16-19H,6H2,(H,20,21)
InChIKeyNMDBDOCFHJQTBA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[(1-oxo-1H-isochromen-3-yl)methoxy]oxane-2-carboxylic acid (CHEBI:184973) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[(1-oxoisochromen-3-yl)methoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128626HMDB