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1187945-72-7

1187945-72-7 Structure

1187945-72-7 Structure
IdentificationBack Directory
[Name]

Dihydroisoferulic Acid 3-O-Glucuronide
[CAS]

1187945-72-7
[Synonyms]

Dihydroisoferulic Acid 3-O-Glucuronide
Dihydro Isoferulic Acid 3-O-β-D-Glucuronide
Dihydro Isoferulic Acid-β-O-β-D-Glucuronide
Dihydro Isoferulic Acid 3-O-β-D-Glucuronide
5-(2-Carboxyethyl)-2-Methoxyphenyl β-D-Glucopyranosiduronic Acid
β-D-Glucopyranosiduronic acid, 5-(2-carboxyethyl)-2-methoxyphenyl
[Molecular Formula]

C16H20O10
[MDL Number]

MFCD31562457
[MOL File]

1187945-72-7.mol
[Molecular Weight]

372.32
Chemical PropertiesBack Directory
[Melting point ]

>128°C (dec.)
[Boiling point ]

667.6±55.0 °C(Predicted)
[density ]

1.563±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under Inert Atmosphere
[solubility ]

Methanol (Slightly), Water (Slightly, Heated, Sonicated)
[form ]

Solid
[pka]

2.79±0.70(Predicted)
[color ]

White to Pale Brown
[Stability:]

Hygroscopic
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Dihydroisoferulic Acid 3-O-β-D-Glucuronide is the glucuronide conjugate of Dihydroisoferulic Acid (H946365). Dihydroisoferulic Acid 3-O-β-D-Glucuronide is a minor circulating metabolite in human plasma after ingestion of coffee and can be used as a biomarker of coffee consumption.
[Uses]

Dihydroisoferulic Acid 3-O-β-D-Glucuronide is the glucuronide conjugate of Dihydroisoferulic Acid (H946365). Dihydroisoferulic Acid 3-O-β-D-Glucuronide is a minor circulating metabolite in human plasma after ingestion of coffee and can be used as a biomarker of coffee consumption.
[Definition]

ChEBI: Dihydroisoferulic acid 3-glucuronide is a glycoside.
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