Hesperetin 3'-glucuronide (Compound)
Go to Compound classificationID | 1617 |
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Name | Hesperetin 3'-glucuronide |
Synonyms | Hesperetin 3'-O-glucuronide |
Structure | |
Description | |
Classification | Compounds > Chemical entities > Organic compounds > Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid O-glucuronides |
CAS number | |
PubChem ID | 46896123 |
ChEBI ID | |
FooDB ID | FDB029910 |
HMDB ID | HMDB0041743 |
Chemical data
MolDBi data
IUPAC Name | (2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
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Traditional IUPAC Name | (2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
Formula | C22H22O12 |
InChI | InChI=1S/C22H22O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t13?,17-,18-,19+,20-,22+/m0/s1 |
InChI Key | PJAUEKWZQWLQSU-WDXLFLMVSA-N |
Molecular weight | 478.4029 |
Exact mass | 478.111126168 |
SMILES | COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1 |
ClassyFire Taxonomy
Description | belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. |
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Kingdom | Organic compounds |
Super Class | Phenylpropanoids and polyketides |
Class | Flavonoids |
Sub Class | Flavonoid glycosides |
Direct Parent | Flavonoid O-glucuronides |
Alternative Parents |
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Publications with Hesperetin 3'-glucuronide
ID | Title | First author | Authors | Year | Journal | Volume | Issue | Pages | PubMed ID | DOI | Study design | No. of Biomarkers | No. of Intake values | No. of Concentration values | No. of Reproducibility values | No. of Correlation values | No. of Metabolomic associations | No. of Microbiota associations | No. of Cancer associations |
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Biomarker data
Measurements of Hesperetin 3'-glucuronide in biospecimens
Concentration values
ID | Parent ID | Depth | Subject group | Population | Country | Cohort | Biomarker Time definition | Biospecimen | Analytical method | Biomarker | Biomarker detail | Measurement size | Detected (nb) | Detected (%) | Detected only? | Arithmethic mean | Arithmethic SD | Geometric mean | Geometric SD | Min | Min (detected) | Percentile_05 | Percentile_10 | Percentile_25 | Median | Percentile_75 | Percentile_90 | Percentile_95 | Max | Interquartile range | Mean 95% CI lower | Mean 95% CI upper | GMean 95% CI lower | GMean 95% CI upper | Unit | Converted arithmetic mean | Converted geometric mean | Converted median | Converted unit | Adjustment type | Adjusted on | Regressed on | Expressed as | Publication |
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Reproducibility values
ID | Excretion ID | Subject group | Population | Country | Cohort | Biomarker Time definition | Biospecimen | Analytical method | Biomarker | Biomarker detail | Arithmetic mean | Geometric mean | Median | Unit | Adjusted on | Reproducibility size | ICC | ICC 95% CI lower | ICC 95% CI upper | CV% WS | CV% BS | VAR WS | VAR BS | Publication |
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Associations of Hesperetin 3'-glucuronide with exposures
Correlation values
ID | Intake ID | Excretion ID | Subject group | Population | Country | Cohort | Intake Time definition | Intake Assessment method | Intake | Intake detail | Supplement intakes included? | Intake Arithmetic mean | Intake Geometric mean | Intake Median | Intake Unit | Intake Adjusted on | Biomarker Time definition | Biospecimen | Analytical method | Biomarker | Biomarker detail | Biomarker Arithmetic mean | Biomarker Geometric mean | Biomarker Median | Biomarker Unit | Biomarker Adjusted on | Correlation size | Correlation type | Correlation value | Correlation 95% CI lower | Correlation 95% CI upper | Correlation p-value | Significant? | Measurement adjustment | Deattenuated? | Covariates | Publication |
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Metabolomic associations
ID | Intake ID | Excretion ID | Subject group | Population | Country | Cohort | No. of subjects | Intake Assessment method | Intake | Intervention dose | Biospecimen | Analytical method | Biomarker | Structural identification | Feature selection | Area under curve | Sensitivity | Specificity | PLS-DA VIP | Beta coefficient | Beta coefficient p-value | ANOVA p-value | Publication |
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Microbiota associations
ID | Biomarker | Experimental evidence | Organism | Biospecimen | Antibiotic | Bacterial source | Substrate | Publication |
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Associations of Hesperetin 3'-glucuronide with cancer risk
Cancer associations
ID | Excretion ID | Subject group | Population | Country | Cohort | No. of subjects | No. of cases | No. of controls | Biospecimen | Analytical method | Biomarker | Biomarker detail | Cancer | Study design | Publication |
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Exposure data
Measurements of Hesperetin 3'-glucuronide exposures in populations
Intake values
ID | Parent ID | Depth | Subject group | Population | Country | Cohort | Intake Time definition | Intake assessment tool | Intake food coverage | Intake time coverage | Intake Assessment method | Intake | Intake detail | Food description | Supplement intakes included? | Measurement size | Detected (nb) | Detected (%) | Detected only? | Arithmethic mean | Arithmethic SD | Geometric mean | Geometric SD | Min | Min (detected) | Percentile_05 | Percentile_10 | Percentile_25 | Median | Percentile_75 | Percentile_90 | Percentile_95 | Max | Interquartile range | Mean 95% CI lower | Mean 95% CI upper | GMean 95% CI lower | GMean 95% CI upper | Unit | Converted arithmetic mean | Converted geometric mean | Converted median | Converted unit | Adjustment type | Adjusted on | Regressed on | Expressed as | Publication |
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Associations of Hesperetin 3'-glucuronide exposures with biomarkers
Correlation values
ID | Intake ID | Excretion ID | Subject group | Population | Country | Cohort | Intake Time definition | Intake Assessment method | Intake | Intake detail | Supplement intakes included? | Intake Arithmetic mean | Intake Geometric mean | Intake Median | Intake Unit | Intake Adjusted on | Biomarker Time definition | Biospecimen | Analytical method | Biomarker | Biomarker detail | Biomarker Arithmetic mean | Biomarker Geometric mean | Biomarker Median | Biomarker Unit | Biomarker Adjusted on | Correlation size | Correlation type | Correlation value | Correlation 95% CI lower | Correlation 95% CI upper | Correlation p-value | Significant? | Measurement adjustment | Deattenuated? | Covariates | Publication |
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