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Record Information
Version4.0
StatusDetected but not Quantified
Creation Date2020-11-01 18:42:36 UTC
Update Date2020-11-09 23:31:33 UTC
HMDB IDHMDB0240735
Secondary Accession NumbersNone
Metabolite Identification
Common NameIsolariciresinol glucuronide
Description3,4,5-trihydroxy-6-{4-[7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}oxane-2-carboxylic acid is possibly neutral.
Structure
Thumb
Synonyms
ValueSource
3,4,5-Trihydroxy-6-{4-[7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}oxane-2-carboxylateGenerator
Chemical FormulaC26H32O12
Average Molecular Weight536.53
Monoisotopic Molecular Weight536.18937647
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
COC1=C(O)C=C2C(C(CO)C(CO)CC2=C1)C1=CC(OC)=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1
InChI Identifier
InChI=1S/C26H32O12/c1-35-18-7-12-5-13(9-27)15(10-28)20(14(12)8-16(18)29)11-3-4-17(19(6-11)36-2)37-26-23(32)21(30)22(31)24(38-26)25(33)34/h3-4,6-8,13,15,20-24,26-32H,5,9-10H2,1-2H3,(H,33,34)
InChI KeyVWNRXGBNZAPMCJ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Ontology
Not Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Spectra
Not Available
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 IDNot Available
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 ID
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available