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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2019-10-11 17:19:10 UTC
Update Date2022-03-07 03:18:19 UTC
HMDB IDHMDB0240570
Secondary Accession NumbersNone
Metabolite Identification
Common NameUrolithin c 3-sulfate
DescriptionUrolithin c 3-sulfate belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Based on a literature review very few articles have been published on Urolithin c 3-sulfate.
Structure
Thumb
Synonyms
ValueSource
Urolithin c 3-sulfuric acidGenerator
Urolithin c 3-sulphateGenerator
Urolithin c 3-sulphuric acidGenerator
{8,9-dihydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxidanesulfonateHMDB
{8,9-dihydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxidanesulphonateHMDB
{8,9-dihydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxidanesulphonic acidHMDB
3,8,9-Trihydroxyurolithin 3-sulfateHMDB
3,8,9-Trihydroxyurolithin 3-sulphateHMDB
Urolithin C sulfateHMDB
Urolithin C sulphateHMDB
Urolithin C monosulfateHMDB
Urolithin C monosulphateHMDB
Urolithin C 3-sulfateHMDB
Chemical FormulaC13H8O8S
Average Molecular Weight324.26
Monoisotopic Molecular Weight323.993988392
IUPAC Name{8,9-dihydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxidanesulfonic acid
Traditional Name{8,9-dihydroxy-6-oxobenzo[c]chromen-3-yl}oxidanesulfonic acid
CAS Registry NumberNot Available
SMILES
OC1=C(O)C=C2C(=C1)C(=O)OC1=C2C=CC(OS(O)(=O)=O)=C1
InChI Identifier
InChI=1S/C13H8O8S/c14-10-4-8-7-2-1-6(21-22(17,18)19)3-12(7)20-13(16)9(8)5-11(10)15/h1-5,14-15H,(H,17,18,19)
InChI KeyAIWPERSXONUOOZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassCoumarins and derivatives
Sub ClassNot Available
Direct ParentCoumarins and derivatives
Alternative Parents
Substituents
  • Isocoumarin
  • Coumarin
  • Arylsulfate
  • 2-benzopyran
  • 1-benzopyran
  • Benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • Pyranone
  • Benzenoid
  • Sulfuric acid ester
  • Sulfate-ester
  • Sulfuric acid monoester
  • Pyran
  • Heteroaromatic compound
  • Organic sulfuric acid or derivatives
  • Lactone
  • Oxacycle
  • Organoheterocyclic compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB093770
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available