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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:44:34 UTC
Update Date2022-03-07 02:55:21 UTC
HMDB IDHMDB0037491
Secondary Accession Numbers
  • HMDB37491
Metabolite Identification
Common NameLiquiritin apioside
DescriptionLiquiritin apioside belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Liquiritin apioside has been detected, but not quantified in, several different foods, such as teas (Camellia sinensis), red tea, green tea, black tea, and herbal tea. This could make liquiritin apioside a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Liquiritin apioside.
Structure
Data?1563863039
SynonymsNot Available
Chemical FormulaC26H30O13
Average Molecular Weight550.5086
Monoisotopic Molecular Weight550.168641046
IUPAC Name2-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one
Traditional Name2-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-7-hydroxy-2,3-dihydro-1-benzopyran-4-one
CAS Registry Number74639-14-8
SMILES
OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(OC2OCC(O)(CO)C2O)C(O)C1O
InChI Identifier
InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2
InChI KeyFTVKHUHJWDMWIR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid O-glycosides
Alternative Parents
Substituents
  • Flavonoid-4p-o-glycoside
  • Flavonoid o-glycoside
  • 7-hydroxyflavonoid
  • Flavanone
  • Hydroxyflavonoid
  • Flavan
  • Phenolic glycoside
  • Chromone
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Chromane
  • Benzopyran
  • 1-benzopyran
  • Phenoxy compound
  • Aryl alkyl ketone
  • Aryl ketone
  • Phenol ether
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Oxane
  • Monocyclic benzene moiety
  • Benzenoid
  • Tertiary alcohol
  • Tetrahydrofuran
  • Secondary alcohol
  • Ketone
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Ether
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Primary alcohol
  • Organooxygen compound
  • 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 Solubility1.5 g/LALOGPS
logP-0.12ALOGPS
logP-1.1ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)7.8ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area204.83 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity128.12 m³·mol⁻¹ChemAxon
Polarizability55.19 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
DarkChem[M+H]+227.03831661259
DarkChem[M-H]-221.53531661259
DeepCCS[M+H]+217.77830932474
DeepCCS[M-H]-215.38330932474
DeepCCS[M-2H]-248.26730932474
DeepCCS[M+Na]+223.69130932474
AllCCS[M+H]+223.432859911
AllCCS[M+H-H2O]+221.932859911
AllCCS[M+NH4]+224.732859911
AllCCS[M+Na]+225.132859911
AllCCS[M-H]-217.132859911
AllCCS[M+Na-2H]-218.832859911
AllCCS[M+HCOO]-220.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Liquiritin apiosideOCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(OC2OCC(O)(CO)C2O)C(O)C1O4781.6Standard polar33892256
Liquiritin apiosideOCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(OC2OCC(O)(CO)C2O)C(O)C1O4600.6Standard non polar33892256
Liquiritin apiosideOCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(O)C=C3)C(OC2OCC(O)(CO)C2O)C(O)C1O5144.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Liquiritin apioside,1TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O4883.0Semi standard non polar33892256
Liquiritin apioside,1TMS,isomer #2C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)C=C3)OC2=C14895.3Semi standard non polar33892256
Liquiritin apioside,1TMS,isomer #3C[Si](C)(C)OC1(CO)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O4902.5Semi standard non polar33892256
Liquiritin apioside,1TMS,isomer #4C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O4872.9Semi standard non polar33892256
Liquiritin apioside,1TMS,isomer #5C[Si](C)(C)OC1C(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)OCC1(O)CO4893.6Semi standard non polar33892256
Liquiritin apioside,1TMS,isomer #6C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C1OC1OCC(O)(CO)C1O4872.5Semi standard non polar33892256
Liquiritin apioside,1TMS,isomer #7C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C1O4848.2Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O4825.6Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #10C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O4787.4Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #11C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O[Si](C)(C)C)C=C3)OC2=C14842.2Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #12C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O4811.6Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #13C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C1O4785.1Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #14C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C1OC1OCC(CO)(O[Si](C)(C)C)C1O4801.2Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #15C[Si](C)(C)OC1C(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)OCC1(CO)O[Si](C)(C)C4809.0Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #16C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O4747.1Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #17C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O4761.4Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #18C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C4784.7Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #19C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C1O4792.7Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O4815.2Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #20C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C1OC1OCC(O)(CO)C1O[Si](C)(C)C4806.6Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #21C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C1O[Si](C)(C)C4767.7Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O4775.3Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O4815.8Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O4800.2Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C4789.6Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #7C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OCC(O)(CO)C4O)C=C3)OC2=C14802.9Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #8C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OCC(O)(CO)C4O)C=C3)OC2=C14824.1Semi standard non polar33892256
Liquiritin apioside,2TMS,isomer #9C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O)C4OC4OCC(CO)(O[Si](C)(C)C)C4O)C=C3)OC2=C14835.5Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O4731.1Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O4665.1Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O4644.5Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C4648.9Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4692.3Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4701.0Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4699.3Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #16C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OCC(O)(CO)C4O)C=C3)OC2=C14698.0Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #17C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OCC(CO)(O[Si](C)(C)C)C4O)C=C3)OC2=C14723.0Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #18C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O4648.8Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #19C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OCC(O)(CO)C4O[Si](C)(C)C)C=C3)OC2=C14713.9Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O4677.8Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #20C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OCC(CO)(O[Si](C)(C)C)C4O)C=C3)OC2=C14731.9Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #21C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C)C=C5O4)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O4653.6Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #22C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OCC(O)(CO)C4O[Si](C)(C)C)C=C3)OC2=C14719.3Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #23C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O4707.7Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #24C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O)C4OC4OCC(CO)(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC2=C14739.3Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #25C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C4676.3Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #26C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O4665.4Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #27C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O4671.6Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #28C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C4691.4Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #29C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O4676.4Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O4726.6Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #30C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C4666.8Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #31C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C1OC1OCC(CO)(O[Si](C)(C)C)C1O[Si](C)(C)C4685.6Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #32C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O4603.0Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #33C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C4630.1Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #34C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C4635.3Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #35C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C1O[Si](C)(C)C4660.1Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O4714.7Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C4708.1Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C1O4700.4Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O4708.7Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O4698.9Semi standard non polar33892256
Liquiritin apioside,3TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C4703.6Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C1O4584.3Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4599.8Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O4594.0Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O4564.1Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C4578.8Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4599.8Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4612.5Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4601.5Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4530.0Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4549.7Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4535.0Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O4621.8Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4586.4Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #21C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OCC(CO)(O[Si](C)(C)C)C4O)C=C3)OC2=C14589.4Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #22C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O4499.5Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #23C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4OC4OCC(O)(CO)C4O[Si](C)(C)C)C=C3)OC2=C14570.6Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #24C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O4558.9Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #25C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4OC4OCC(CO)(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC2=C14605.7Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #26C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C4522.4Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #27C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C)C=C5O4)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O4560.9Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #28C[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4OC4OCC(CO)(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3)OC2=C14612.8Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #29C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C)C=C5O4)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C4522.5Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O4606.3Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #30C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C4594.2Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #31C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O4522.8Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #32C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C4547.0Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #33C[Si](C)(C)OCC1(O[Si](C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C4552.4Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #34C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C4553.7Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #35C[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C4485.8Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C4611.5Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O4555.4Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O4535.5Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C4543.2Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4593.2Semi standard non polar33892256
Liquiritin apioside,4TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4600.3Semi standard non polar33892256
Liquiritin apioside,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O5116.6Semi standard non polar33892256
Liquiritin apioside,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)C=C3)OC2=C15131.0Semi standard non polar33892256
Liquiritin apioside,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1(CO)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O5144.4Semi standard non polar33892256
Liquiritin apioside,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O5102.5Semi standard non polar33892256
Liquiritin apioside,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)OCC1(O)CO5140.3Semi standard non polar33892256
Liquiritin apioside,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C1OC1OCC(O)(CO)C1O5131.3Semi standard non polar33892256
Liquiritin apioside,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C1O5115.1Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O5236.1Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O5218.3Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O[Si](C)(C)C(C)(C)C)C=C3)OC2=C15274.8Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O5237.6Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C1O5249.0Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C1OC1OCC(CO)(O[Si](C)(C)C(C)(C)C)C1O5275.1Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1C(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)OCC1(CO)O[Si](C)(C)C(C)(C)C5250.3Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O5205.2Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O5228.2Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C(C)(C)C5220.8Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C1O5252.4Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5237.3Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C1OC1OCC(O)(CO)C1O[Si](C)(C)C(C)(C)C5279.0Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C1O[Si](C)(C)C(C)(C)C5240.8Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5203.6Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5240.8Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5250.9Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5234.1Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OCC(O)(CO)C4O)C=C3)OC2=C15246.2Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OCC(O)(CO)C4O)C=C3)OC2=C15270.4Semi standard non polar33892256
Liquiritin apioside,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O)C4OC4OCC(CO)(O[Si](C)(C)C(C)(C)C)C4O)C=C3)OC2=C15271.9Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5342.3Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5296.4Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5309.8Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5301.3Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5340.2Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5336.2Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5344.3Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4OC4OCC(O)(CO)C4O)C=C3)OC2=C15328.6Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OCC(CO)(O[Si](C)(C)C(C)(C)C)C4O)C=C3)OC2=C15354.8Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O5294.8Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4OC4OCC(O)(CO)C4O[Si](C)(C)C(C)(C)C)C=C3)OC2=C15349.4Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5317.6Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OCC(CO)(O[Si](C)(C)C(C)(C)C)C4O)C=C3)OC2=C15381.0Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5O4)C=C3)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O5323.3Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4OC4OCC(O)(CO)C4O[Si](C)(C)C(C)(C)C)C=C3)OC2=C15372.6Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O5337.7Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)CC(C3=CC=C(OC4OC(CO)C(O)C(O)C4OC4OCC(CO)(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3)OC2=C15359.2Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O[Si](C)(C)C(C)(C)C)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C(C)(C)C5320.8Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O5286.2Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O5314.9Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O)C1O[Si](C)(C)C(C)(C)C5310.7Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O5283.9Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5346.6Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C1O[Si](C)(C)C(C)(C)C5303.9Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C1OC1OCC(CO)(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5309.9Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O5260.4Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O[Si](C)(C)C(C)(C)C5268.4Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OCC1(O)COC(OC2C(OC3=CC=C(C4CC(=O)C5=CC=C(O)C=C5O4)C=C3)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5294.2Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5310.1Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5353.0Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5341.1Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5311.3Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5301.4Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5332.8Semi standard non polar33892256
Liquiritin apioside,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(O)C=C4O3)C=C2)C(OC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5322.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0g59-8440490000-a893deb6bfd1a07cfab42017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (2 TMS) - 70eV, Positivesplash10-01zi-9201007000-bd3c73fb150882ce52c82017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS ("Liquiritin apioside,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Liquiritin apioside GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Liquiritin apioside , negative-QTOFsplash10-052b-0350090000-f517c00d5644dded89972017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Liquiritin apioside , negative-QTOFsplash10-001i-0912010000-905f467640047859fe8e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Liquiritin apioside , positive-QTOFsplash10-0a4i-0490000000-ad748fb436e8b9651d9d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Liquiritin apioside , positive-QTOFsplash10-0a4i-0290000000-b40dde18ea462d9712632017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Liquiritin apioside 10V, Positive-QTOFsplash10-0pbi-0390740000-a3abacaf5e95d239c6562016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Liquiritin apioside 20V, Positive-QTOFsplash10-0a4r-0390200000-e443dc0bbf91ddc112d12016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Liquiritin apioside 40V, Positive-QTOFsplash10-0a4r-1960000000-4438f8a8dda10832aa782016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Liquiritin apioside 10V, Negative-QTOFsplash10-05mk-0473390000-5a06e4a282799b06d7bd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Liquiritin apioside 20V, Negative-QTOFsplash10-0aos-1892220000-ee36a8bf914ba8824e192016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Liquiritin apioside 40V, Negative-QTOFsplash10-0a4i-4970000000-dc6fe5e26dc4299ffd4a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Liquiritin apioside 10V, Positive-QTOFsplash10-0udi-0000090000-bea501839ff1459bcc232021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Liquiritin apioside 20V, Positive-QTOFsplash10-0f7a-0900040000-02b2be8f632733ecec3c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Liquiritin apioside 40V, Positive-QTOFsplash10-000i-0900200000-f2f6ddf0c512317c8b212021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Liquiritin apioside 10V, Negative-QTOFsplash10-0002-0000090000-959ff162ed69be138bfc2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Liquiritin apioside 20V, Negative-QTOFsplash10-000b-0700090000-14370a00c8d92d5290252021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Liquiritin apioside 40V, Negative-QTOFsplash10-03di-0100900000-0d82b4e169b1fb3284eb2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB016564
KNApSAcK IDC00008195
Chemspider ID22370325
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound45360052
PDB IDNot Available
ChEBI IDNot Available
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.. .

Enzymes

General function:
Involved in sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of many hormones, neurotransmitters, drugs and xenobiotic compounds. Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Sulfates hydroxysteroids like DHEA. Isoform 1 preferentially sulfonates cholesterol, and isoform 2 avidly sulfonates pregnenolone but not cholesterol.
Gene Name:
SULT2B1
Uniprot ID:
O00204
Molecular weight:
39598.595
Reactions
Liquiritin apioside → {[5-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methoxy}sulfonic aciddetails
Liquiritin apioside → [2-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl]oxidanesulfonic aciddetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
Liquiritin apioside → 6-[(2-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic aciddetails