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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 03:42:47 UTC
Update Date2022-03-07 02:57:12 UTC
HMDB IDHMDB0041786
Secondary Accession Numbers
  • HMDB41786
Metabolite Identification
Common NameUrolithin A 3,8-O-diglucuronide
DescriptionUrolithin A 3,8-O-diglucuronide belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Based on a literature review very few articles have been published on Urolithin A 3,8-O-diglucuronide.
Structure
Data?1610471728
Synonyms
ValueSource
(2S,3S,4S,5R,6S)-6-[(3-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-6-oxo-6H-benzo[c]chromen-8-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylateHMDB
(2S,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxobenzo[c]chromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidHMDB
Urolithin-3,8-diglucuronideHMDB
Chemical FormulaC25H24O16
Average Molecular Weight580.4485
Monoisotopic Molecular Weight580.10643472
IUPAC Name(2S,3S,4S,5R,6S)-6-[(3-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-6-oxo-6H-benzo[c]chromen-8-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6S)-6-[(3-{[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-6-oxobenzo[c]chromen-8-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)C2=C(C=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C2)C(=O)O3)O[C@@H]([C@H]1O)C(O)=O
InChI Identifier
InChI=1S/C25H24O16/c26-13-15(28)19(21(32)33)40-24(17(13)30)37-7-1-3-9-10-4-2-8(6-12(10)39-23(36)11(9)5-7)38-25-18(31)14(27)16(29)20(41-25)22(34)35/h1-6,13-20,24-31H,(H,32,33)(H,34,35)/t13-,14-,15-,16-,17+,18+,19-,20-,24+,25+/m0/s1
InChI KeySXMJSEFKPOZNAT-ILJCXFEASA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPhenolic glycosides
Alternative Parents
Substituents
  • Phenolic glycoside
  • 1-o-glucuronide
  • O-glucuronide
  • Glucuronic acid or derivatives
  • Coumarin
  • Isocoumarin
  • O-glycosyl compound
  • 2-benzopyran
  • 1-benzopyran
  • Benzopyran
  • Pyranone
  • Beta-hydroxy acid
  • Pyran
  • Benzenoid
  • Oxane
  • Monosaccharide
  • Dicarboxylic acid or derivatives
  • Hydroxy acid
  • Heteroaromatic compound
  • Secondary alcohol
  • Lactone
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Acetal
  • Hydrocarbon derivative
  • Carbonyl group
  • Alcohol
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
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
PropertyValueSource
Water Solubility2.25 g/LALOGPS
logP-0.41ALOGPS
logP-1.6ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)2.82ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count15ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area259.2 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity124.92 m³·mol⁻¹ChemAxon
Polarizability53.13 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+216.15330932474
DeepCCS[M-H]-214.25830932474
DeepCCS[M-2H]-247.85630932474
DeepCCS[M+Na]+221.84330932474
AllCCS[M+H]+221.532859911
AllCCS[M+H-H2O]+220.232859911
AllCCS[M+NH4]+222.632859911
AllCCS[M+Na]+223.032859911
AllCCS[M-H]-216.132859911
AllCCS[M+Na-2H]-217.632859911
AllCCS[M+HCOO]-219.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Urolithin A 3,8-O-diglucuronideO[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)C2=C(C=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C2)C(=O)O3)O[C@@H]([C@H]1O)C(O)=O5682.2Standard polar33892256
Urolithin A 3,8-O-diglucuronideO[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)C2=C(C=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C2)C(=O)O3)O[C@@H]([C@H]1O)C(O)=O4451.3Standard non polar33892256
Urolithin A 3,8-O-diglucuronideO[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)C2=C(C=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C2)C(=O)O3)O[C@@H]([C@H]1O)C(O)=O5318.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Urolithin A 3,8-O-diglucuronide,1TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O4959.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TMS,isomer #2C[Si](C)(C)O[C@H]1[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O4983.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@H]1O4998.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O4959.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O4984.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TMS,isomer #6C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4962.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@H]1O4997.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4961.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #1C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@@H]1O[Si](C)(C)C4831.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)O[C@H](C(=O)O)[C@H]1O4799.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #11C[Si](C)(C)O[C@H]1[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O4837.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #12C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4801.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@H]1O4842.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #14C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4822.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #15C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4803.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #16C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@H]1O4847.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #17C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@H]1O4844.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #18C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@H]1O[Si](C)(C)C4827.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #19C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@@H]1O[Si](C)(C)C4832.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4771.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #20C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4772.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #21C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O4801.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #22C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4772.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #23C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4800.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #24C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@H]1O4839.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #25C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4803.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #26C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4798.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #27C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4803.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #28C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4821.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O4802.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O4772.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)O[C@H](C(=O)O)[C@H]1O4800.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #6C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4771.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@H]1O[Si](C)(C)C4828.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4798.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@H]1O4839.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C4747.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #10C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4648.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #11C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4693.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O4670.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #13C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@H]1O4690.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #14C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4678.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@H]1O4710.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #16C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)O[C@H](C(=O)O)[C@H]1O4676.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #17C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4647.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #18C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O4670.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #19C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4677.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4712.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #20C[Si](C)(C)O[C@H]1[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O4707.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #21C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4710.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #22C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4723.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #23C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4713.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #24C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4717.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #25C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4677.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #26C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4724.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #27C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4715.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #28C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@H]1O4729.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #29C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@H]1O4726.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4698.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #30C[Si](C)(C)O[C@H]1[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O4707.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #31C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@@H]1O[Si](C)(C)C4713.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #32C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4680.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #33C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@H]1O4690.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #34C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4717.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #35C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@H]1O4726.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #36C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4740.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #37C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4733.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #38C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4725.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #39C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4741.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #4C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@@H]1O[Si](C)(C)C4713.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #40C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4712.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #41C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4695.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #42C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4714.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #43C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4723.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #44C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@H]1O4710.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #45C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@H]1O4730.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #46C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C4749.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #47C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4715.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #48C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4699.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #49C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@@H]1O[Si](C)(C)C4715.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)O[C@H](C(=O)O)[C@H]1O4675.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #50C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4688.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #51C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4692.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #52C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4679.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #53C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4726.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #54C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4723.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #55C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4716.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #56C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4731.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #6C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@@H]1O[Si](C)(C)C4712.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4687.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4695.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,3TMS,isomer #9C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4682.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4675.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #10C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4659.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #11C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4621.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #12C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4661.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #13C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@@H]1O[Si](C)(C)C4644.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@H]1O4664.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #15C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@@H]1O[Si](C)(C)C4653.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #16C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4650.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #17C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4632.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #18C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4604.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #19C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4634.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C4694.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #20C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4656.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #21C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4614.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #22C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4657.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #23C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4634.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #24C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4650.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #25C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4629.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #26C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)O[C@H](C(=O)O)[C@H]1O4650.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #27C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4612.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #28C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@H]1O[Si](C)(C)C4640.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #29C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4629.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)O[C@H](C(=O)O)[C@H]1O4651.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #30C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@H]1O4659.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #31C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4657.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #32C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4620.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #33C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@@H]1O[Si](C)(C)C4645.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #34C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4627.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #35C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4660.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #36C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4675.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #37C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4674.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #38C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4631.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #39C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4675.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C4689.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #40C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4675.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #41C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4630.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #42C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4676.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #43C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4668.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #44C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4685.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #45C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4662.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #46C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4653.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #47C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4673.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #48C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4680.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #49C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@H]1O4659.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #5C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4706.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #50C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@H]1O4679.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #51C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C4690.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #52C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4658.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #53C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@H]1O4665.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #54C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4649.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #55C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4684.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #56C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4651.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #57C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4675.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #58C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4677.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #59C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4680.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #6C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4652.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #60C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4658.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #61C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4708.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #62C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4675.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #63C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4655.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #64C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4674.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #65C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C4696.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #66C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O4655.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #67C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4665.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #68C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4659.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #69C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4633.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4662.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #70C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4675.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4631.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)=CC=C23)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4665.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O5191.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O5213.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@H]1O5216.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O5192.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O5214.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O5226.0Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@H]1O5214.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O5225.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@@H]1O[Si](C)(C)C(C)(C)C5246.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC=C23)O[C@H](C(=O)O)[C@H]1O5236.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC=C23)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O5253.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O5272.6Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O5254.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C5274.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O5266.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@H]1O5260.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O5256.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C5249.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@@H]1O[Si](C)(C)C(C)(C)C5248.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O5256.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O5254.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O5252.1Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O5252.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O5275.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC=C23)[C@H](O)[C@H]1O5252.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O5274.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O5306.5Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O5266.4Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C5274.8Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O5253.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=CC=C23)O[C@H](C(=O)O)[C@H]1O5246.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC=C23)O[C@H](C(=O)O)[C@H]1O5238.9Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O5252.7Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)OC(=O)C2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C23)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C5249.2Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC=C23)[C@H](O)[C@@H](O)[C@@H]1O5274.3Semi standard non polar33892256
Urolithin A 3,8-O-diglucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=CC=C3C(=C2)C(=O)OC2=CC(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC=C23)[C@H](O)[C@H]1O5251.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-03fr-2100930000-3944ff938116a09a19902017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (1 TMS) - 70eV, Positivesplash10-0012-8640697000-4069a3eaeda0a45b82012017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS ("Urolithin A 3,8-O-diglucuronide,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urolithin A 3,8-O-diglucuronide GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urolithin A 3,8-O-diglucuronide 10V, Positive-QTOFsplash10-06ri-0019580000-fca41eba40393032d0792017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urolithin A 3,8-O-diglucuronide 20V, Positive-QTOFsplash10-004r-0095200000-25e124985eb0a036aa782017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urolithin A 3,8-O-diglucuronide 40V, Positive-QTOFsplash10-004i-0192000000-ece3b8edcb3369db327d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urolithin A 3,8-O-diglucuronide 10V, Negative-QTOFsplash10-0f9i-0113590000-5e54bf3d864cfbf9681f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urolithin A 3,8-O-diglucuronide 20V, Negative-QTOFsplash10-0zg0-1139760000-d5a73af30ed9ad3b83e32017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urolithin A 3,8-O-diglucuronide 40V, Negative-QTOFsplash10-0a6r-3198400000-ce11d8f90b287f8283242017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urolithin A 3,8-O-diglucuronide 10V, Negative-QTOFsplash10-0ug0-0236970000-9ad98c3cf7ea1cfb9f8d2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urolithin A 3,8-O-diglucuronide 20V, Negative-QTOFsplash10-0zi9-9256730000-b2add8c70158a0f7d9c62021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urolithin A 3,8-O-diglucuronide 40V, Negative-QTOFsplash10-004i-3095100000-08c3db8b13e2790006732021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urolithin A 3,8-O-diglucuronide 10V, Positive-QTOFsplash10-08gr-0103390000-bf996772d9ce283e5b4f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urolithin A 3,8-O-diglucuronide 20V, Positive-QTOFsplash10-0bti-0113590000-02ad814601ee7383012c2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urolithin A 3,8-O-diglucuronide 40V, Positive-QTOFsplash10-0a4i-3301950000-eef56e0a4efe158f51042021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB029961
KNApSAcK IDNot Available
Chemspider ID30777653
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131753208
PDB IDNot Available
ChEBI ID169473
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 References
  1. Neveu V, Perez-Jimenez J, Vos F, Crespy V, du Chaffaut L, Mennen L, Knox C, Eisner R, Cruz J, Wishart D, Scalbert A: Phenol-Explorer: an online comprehensive database on polyphenol contents in foods. Database (Oxford). 2010;2010:bap024. doi: 10.1093/database/bap024. Epub 2010 Jan 8. [PubMed:20428313 ]