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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:32:51 UTC
Update Date2022-03-07 02:55:41 UTC
HMDB IDHMDB0038262
Secondary Accession Numbers
  • HMDB38262
Metabolite Identification
Common Name3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide
Description3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position. Based on a literature review very few articles have been published on 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide.
Structure
Data?1563863167
Synonyms
ValueSource
6-{[5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateHMDB
Chemical FormulaC23H22O14
Average Molecular Weight522.4124
Monoisotopic Molecular Weight522.100955412
IUPAC Name6-{[5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name6-{[5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
COC1=C(O)C=CC(=C1)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(=O)C2=C(O)C(O)=C(OC)C=C2O1
InChI Identifier
InChI=1S/C23H22O14/c1-33-9-5-7(3-4-8(9)24)19-20(36-23-18(30)16(28)17(29)21(37-23)22(31)32)15(27)12-10(35-19)6-11(34-2)13(25)14(12)26/h3-6,16-18,21,23-26,28-30H,1-2H3,(H,31,32)
InChI KeyVEAQUGWEICGLMM-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-3-O-glucuronides
Alternative Parents
Substituents
  • Flavonoid-3-o-glucuronide
  • Flavonoid-3-o-glycoside
  • 3p-methoxyflavonoid-skeleton
  • 7-methoxyflavonoid-skeleton
  • Hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 6-hydroxyflavonoid
  • Flavone
  • 1-o-glucuronide
  • O-glucuronide
  • Glucuronic acid or derivatives
  • Hexose monosaccharide
  • O-glycosyl compound
  • Chromone
  • Glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Methoxyphenol
  • Anisole
  • Phenoxy compound
  • Methoxybenzene
  • Phenol ether
  • Beta-hydroxy acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Pyranone
  • Alkyl aryl ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Oxane
  • Monosaccharide
  • Hydroxy acid
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Ether
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Acetal
  • Oxacycle
  • Polyol
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxygen compound
  • Organooxygen compound
  • Organic oxide
  • Carbonyl group
  • 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 Solubility1.94 g/LALOGPS
logP1.52ALOGPS
logP0.16ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)2.59ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area221.9 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity120.09 m³·mol⁻¹ChemAxon
Polarizability48.1 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+219.98831661259
DarkChem[M-H]-218.25631661259
DeepCCS[M+H]+204.33330932474
DeepCCS[M-H]-201.93730932474
DeepCCS[M-2H]-234.82130932474
DeepCCS[M+Na]+210.31630932474
AllCCS[M+H]+216.132859911
AllCCS[M+H-H2O]+214.132859911
AllCCS[M+NH4]+217.932859911
AllCCS[M+Na]+218.432859911
AllCCS[M-H]-215.532859911
AllCCS[M+Na-2H]-216.432859911
AllCCS[M+HCOO]-217.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronideCOC1=C(O)C=CC(=C1)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(=O)C2=C(O)C(O)=C(OC)C=C2O16209.0Standard polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronideCOC1=C(O)C=CC(=C1)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(=O)C2=C(O)C(O)=C(OC)C=C2O14428.1Standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronideCOC1=C(O)C=CC(=C1)C1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(=O)C2=C(O)C(O)=C(OC)C=C2O14743.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TMS,isomer #1COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4564.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TMS,isomer #2COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4515.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TMS,isomer #3COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4515.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TMS,isomer #4COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4546.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TMS,isomer #5COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4525.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TMS,isomer #6COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4505.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TMS,isomer #7COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4488.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #1COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4343.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #10COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4344.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #11COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4352.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #12COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4321.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #13COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4302.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #14COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4343.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #15COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4374.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #16COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4349.0Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #17COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4309.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #18COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4375.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #19COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4341.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #2COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4317.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #20COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4331.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #21COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4282.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #3COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4373.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #4COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4390.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #5COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4366.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #6COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4412.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #7COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4323.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #8COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4281.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TMS,isomer #9COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4358.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #1COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4216.0Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #10COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4279.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #11COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4226.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #12COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4289.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #13COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4255.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #14COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4273.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #15COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4277.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #16COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4182.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #17COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4244.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #18COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4205.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #19COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4221.0Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #2COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4215.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #20COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4220.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #21COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4189.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #22COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4202.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #23COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4251.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #24COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4276.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #25COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4263.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #26COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4191.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #27COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4224.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #28COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4229.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #29COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4214.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #3COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4225.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #30COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4208.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #31COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4261.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #32COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4211.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #33COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4244.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #34COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4228.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #35COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4185.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #4COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4206.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #5COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4249.0Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #6COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4195.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #7COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4187.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #8COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4197.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TMS,isomer #9COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4219.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #1COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4125.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #10COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4183.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #11COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4151.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #12COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4155.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #13COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4152.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #14COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4146.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #15COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4157.0Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #16COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4163.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #17COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4189.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #18COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4228.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #19COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4195.0Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #2COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4162.0Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #20COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4212.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #21COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4153.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #22COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4149.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #23COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4161.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #24COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4165.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #25COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4214.0Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #26COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4167.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #27COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4145.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #28COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4179.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #29COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4139.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #3COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4152.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #30COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4193.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #31COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4139.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #32COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4162.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #33COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4163.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #34COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4141.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #35COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4148.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #4COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4191.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #5COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4182.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #6COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4174.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #7COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4180.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #8COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4163.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,isomer #9COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4184.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #1COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4118.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #10COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4155.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #11COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4131.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #12COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4166.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #13COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4113.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #14COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4128.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #15COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4185.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #16COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4108.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #17COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4151.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #18COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4115.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #19COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4151.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #2COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4098.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #20COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4125.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #21COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O4091.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #3COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4118.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #4COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4125.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #5COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4142.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #6COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4128.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #7COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4151.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #8COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4192.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,5TMS,isomer #9COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C4143.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TBDMS,isomer #1COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4815.0Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TBDMS,isomer #2COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4808.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TBDMS,isomer #3COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4828.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TBDMS,isomer #4COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4842.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TBDMS,isomer #5COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4826.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TBDMS,isomer #6COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4808.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,1TBDMS,isomer #7COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4789.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #1COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4839.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #10COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4844.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #11COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4841.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #12COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4854.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #13COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4883.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #14COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4860.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #15COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4856.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #16COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4848.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #17COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4850.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #18COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4852.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #19COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4846.0Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #2COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4842.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #20COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4848.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #21COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4832.0Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #3COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4855.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #4COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4842.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #5COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4850.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #6COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4866.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #7COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4828.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #8COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4831.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,2TBDMS,isomer #9COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4845.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #1COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4915.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #10COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4926.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #11COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4930.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #12COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4938.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #13COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4900.4Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #14COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4911.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #15COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4922.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #16COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4883.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #17COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4945.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #18COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4931.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #19COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4933.0Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #2COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4941.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #20COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4915.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #21COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4908.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #22COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4912.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #23COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4915.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #24COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4942.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #25COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4893.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #26COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4913.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #27COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4965.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #28COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4946.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #29COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4937.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #3COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4925.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #30COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4921.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #31COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)=CC=C1O4919.7Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #32COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4899.0Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #33COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4946.1Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #34COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O4916.9Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #35COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O4875.5Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #4COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4954.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #5COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4943.2Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #6COC1=CC(C2=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4915.6Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #7COC1=CC(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4896.3Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #8COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4932.8Semi standard non polar33892256
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,3TBDMS,isomer #9COC1=CC(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(O)=C(OC)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C4915.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0pbc-9103520000-4991758732621ed954872017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide GC-MS (2 TMS) - 70eV, Positivesplash10-0zfr-9200048000-7118f09e83999c0b757e2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide GC-MS (TMS_4_13) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide GC-MS (TMS_5_12) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide GC-MS (TBDMS_1_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide GC-MS (TBDMS_2_20) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide GC-MS (TBDMS_2_21) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide GC-MS (TBDMS_3_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide GC-MS (TBDMS_3_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide GC-MS (TBDMS_3_35) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide GC-MS ("3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide,4TMS,#13" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide 10V, Positive-QTOFsplash10-0592-0109160000-bb4f1f2d78ec04ef28452016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide 20V, Positive-QTOFsplash10-0002-0109000000-8947b1a37aa12fe78fee2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide 40V, Positive-QTOFsplash10-005j-1839000000-e05cf0f41fb65c38e3732016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide 10V, Negative-QTOFsplash10-00dj-2407490000-852c3dc2d911bb1a58702016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide 20V, Negative-QTOFsplash10-004j-1309210000-7e7c3a228fd34d7263b12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide 40V, Negative-QTOFsplash10-002b-3549000000-b206d345365eba8725b32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide 10V, Positive-QTOFsplash10-0002-0009020000-2f2bf46a01a95246e2b52021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide 20V, Positive-QTOFsplash10-00dk-0009090000-b13b9e6063e42d97e4e62021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide 40V, Positive-QTOFsplash10-0002-0009000000-130d9651cdd5656bd65d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide 10V, Negative-QTOFsplash10-00di-0000090000-44d5e1369253987d4b142021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide 20V, Negative-QTOFsplash10-00di-0005090000-49aba7ac34798541bc352021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide 40V, Negative-QTOFsplash10-0006-0009000000-13f83911367c45b8797d2021-09-24Wishart 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 IDFDB017558
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131752323
PDB IDNot Available
ChEBI ID168058
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. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .