Hmdb loader
Survey
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2020-11-01 18:42:36 UTC
Update Date2022-03-07 03:18:21 UTC
HMDB IDHMDB0240735
Secondary Accession NumbersNone
Metabolite Identification
Common NameIsolariciresinol glucuronide
DescriptionIsolariciresinol glucuronide belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones. Based on a literature review very few articles have been published on Isolariciresinol glucuronide.
Structure
Thumb
Synonyms
ValueSource
3,4,5-Trihydroxy-6-{4-[7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}oxane-2-carboxylateHMDB
Chemical FormulaC26H32O12
Average Molecular Weight536.53
Monoisotopic Molecular Weight536.18937647
IUPAC Name3,4,5-trihydroxy-6-{4-[7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}oxane-2-carboxylic acid
Traditional Name3,4,5-trihydroxy-6-{4-[7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}oxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
COC1=C(O)C=C2C(C(CO)C(CO)CC2=C1)C1=CC(OC)=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1
InChI Identifier
InChI=1S/C26H32O12/c1-35-18-7-12-5-13(9-27)15(10-28)20(14(12)8-16(18)29)11-3-4-17(19(6-11)36-2)37-26-23(32)21(30)22(31)24(38-26)25(33)34/h3-4,6-8,13,15,20-24,26-32H,5,9-10H2,1-2H3,(H,33,34)
InChI KeyVWNRXGBNZAPMCJ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones.
KingdomOrganic compounds
Super ClassLignans, neolignans and related compounds
ClassLignan glycosides
Sub ClassNot Available
Direct ParentLignan glycosides
Alternative Parents
Substituents
  • Lignan glycoside
  • 9,9p-dihydroxyaryltetralin lignan
  • 1-aryltetralin lignan
  • Phenolic glycoside
  • Fatty acyl glycoside of mono- or disaccharide
  • Fatty acyl glycoside
  • O-glucuronide
  • 1-o-glucuronide
  • Glucuronic acid or derivatives
  • Alkyl glycoside
  • O-glycosyl compound
  • Glycosyl compound
  • Tetralin
  • Phenoxy compound
  • Methoxybenzene
  • Phenol ether
  • Anisole
  • 1-hydroxy-2-unsubstituted benzenoid
  • Beta-hydroxy acid
  • Alkyl aryl ether
  • Fatty acyl
  • Benzenoid
  • Pyran
  • Oxane
  • Monosaccharide
  • Hydroxy acid
  • Monocyclic benzene moiety
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Monocarboxylic acid or derivatives
  • Ether
  • Carboxylic acid
  • Carboxylic acid derivative
  • Acetal
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
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
logP0.7ALOGPS
logP-0.17ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)3.15ChemAxon
pKa (Strongest Basic)-2.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area195.6 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity129.88 m³·mol⁻¹ChemAxon
Polarizability53.29 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
DeepCCS[M+H]+215.19630932474
DeepCCS[M-H]-212.80130932474
DeepCCS[M-2H]-245.68430932474
DeepCCS[M+Na]+221.12730932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Isolariciresinol glucuronideCOC1=C(O)C=C2C(C(CO)C(CO)CC2=C1)C1=CC(OC)=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C14836.4Standard polar33892256
Isolariciresinol glucuronideCOC1=C(O)C=C2C(C(CO)C(CO)CC2=C1)C1=CC(OC)=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C14517.3Standard non polar33892256
Isolariciresinol glucuronideCOC1=C(O)C=C2C(C(CO)C(CO)CC2=C1)C1=CC(OC)=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C14744.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Isolariciresinol glucuronide,1TMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4619.7Semi standard non polar33892256
Isolariciresinol glucuronide,1TMS,isomer #2COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24611.7Semi standard non polar33892256
Isolariciresinol glucuronide,1TMS,isomer #3COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24622.9Semi standard non polar33892256
Isolariciresinol glucuronide,1TMS,isomer #4COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO)C24613.7Semi standard non polar33892256
Isolariciresinol glucuronide,1TMS,isomer #5COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO)C24624.0Semi standard non polar33892256
Isolariciresinol glucuronide,1TMS,isomer #6COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C24639.4Semi standard non polar33892256
Isolariciresinol glucuronide,1TMS,isomer #7COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO)C(CO)C24582.2Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4423.4Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #10COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24434.7Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #11COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24410.8Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #12COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24428.8Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #13COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24429.9Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #14COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24423.0Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #15COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24456.7Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #16COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO)C24468.2Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #17COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO)C24476.7Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #18COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C24486.1Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #19COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO)C24454.9Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #2COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4400.8Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #20COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C24510.7Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #21COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C24487.0Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #3COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O4442.8Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #4COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O4463.2Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #5COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O4456.1Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #6COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C4492.4Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #7COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24405.8Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #8COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24412.3Semi standard non polar33892256
Isolariciresinol glucuronide,2TMS,isomer #9COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24402.6Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4213.2Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #10COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4362.6Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #11COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4325.0Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #12COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4382.6Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #13COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4353.7Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #14COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4373.3Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #15COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4382.3Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #16COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24269.2Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #17COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24217.6Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #18COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24284.3Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #19COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24202.8Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #2COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O4270.8Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #20COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24269.3Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #21COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24293.6Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #22COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24221.1Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #23COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24291.0Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #24COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24209.4Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #25COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24241.1Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #26COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24308.4Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #27COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24256.2Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #28COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24322.7Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #29COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24299.1Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #3COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O4268.5Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #30COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24323.1Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #31COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24320.1Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #32COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO)C24380.9Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #33COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C24420.1Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #34COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C24424.2Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #35COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO)C24397.9Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #4COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O4253.3Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #5COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C4299.5Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #6COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O4230.5Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #7COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O4236.8Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #8COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O4219.6Semi standard non polar33892256
Isolariciresinol glucuronide,3TMS,isomer #9COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C4266.0Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O4067.9Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #10COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4189.9Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #11COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4144.9Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #12COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4093.2Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #13COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4152.5Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #14COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4154.1Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #15COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4173.9Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #16COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4166.2Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #17COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4262.8Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #18COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4308.9Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #19COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4279.6Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #2COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O4108.2Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #20COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4305.4Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #21COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24161.1Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #22COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24202.1Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #23COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24113.1Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #24COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24164.8Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #25COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24071.0Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #26COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24124.0Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #27COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24207.0Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #28COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24120.0Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #29COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24145.9Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #3COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O4087.5Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #30COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24115.7Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #31COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24184.2Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #32COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24232.1Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #33COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24189.1Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #34COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24231.0Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #35COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO)C24338.7Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #4COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C4123.5Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #5COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4181.4Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #6COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4121.7Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #7COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4189.2Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #8COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4177.4Semi standard non polar33892256
Isolariciresinol glucuronide,4TMS,isomer #9COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4202.0Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4032.1Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #10COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4131.0Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #11COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4082.6Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #12COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4122.0Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #13COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4078.5Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #14COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4117.1Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #15COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4255.3Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #16COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO[Si](C)(C)C)C(CO)C24140.5Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #17COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24047.6Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #18COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24085.0Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #19COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24038.8Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #2COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O3990.4Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #20COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C)C(CO[Si](C)(C)C)C24063.7Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #21COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO[Si](C)(C)C)C24155.1Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #3COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4037.1Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #4COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4039.1Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #5COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4060.7Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #6COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO[Si](C)(C)C)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4031.0Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #7COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4099.2Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #8COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4141.3Semi standard non polar33892256
Isolariciresinol glucuronide,5TMS,isomer #9COC1=CC(C2C3=CC(O[Si](C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4094.6Semi standard non polar33892256
Isolariciresinol glucuronide,1TBDMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4867.7Semi standard non polar33892256
Isolariciresinol glucuronide,1TBDMS,isomer #2COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C24864.7Semi standard non polar33892256
Isolariciresinol glucuronide,1TBDMS,isomer #3COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C24882.4Semi standard non polar33892256
Isolariciresinol glucuronide,1TBDMS,isomer #4COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO)C24896.3Semi standard non polar33892256
Isolariciresinol glucuronide,1TBDMS,isomer #5COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO)C(CO)C24907.8Semi standard non polar33892256
Isolariciresinol glucuronide,1TBDMS,isomer #6COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(CO)C24920.9Semi standard non polar33892256
Isolariciresinol glucuronide,1TBDMS,isomer #7COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO)C(CO)C24869.5Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C(C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4921.1Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #10COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C24899.9Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #11COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C24906.2Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #12COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C24922.6Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #13COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C24916.2Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #14COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C24925.2Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #15COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C24933.6Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #16COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO)C24979.8Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #17COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO)C24976.7Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #18COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO)C24989.3Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #19COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO)C24961.7Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #2COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C(C)(C)C)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4882.6Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #20COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO)C25011.6Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #21COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO)C24987.9Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #3COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4945.0Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #4COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4955.1Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #5COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4953.9Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #6COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4975.1Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #7COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C24889.8Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #8COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C24881.3Semi standard non polar33892256
Isolariciresinol glucuronide,2TBDMS,isomer #9COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C24894.4Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #1COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C(C)(C)C)C2CO[Si](C)(C)C(C)(C)C)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O4929.3Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #10COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5042.6Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #11COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5019.8Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #12COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5047.1Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #13COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5034.9Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #14COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5051.1Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #15COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5066.8Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #16COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C24942.5Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #17COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C24924.6Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #18COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C24943.7Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #19COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C24919.5Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #2COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C(C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4977.0Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #20COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C24929.0Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #21COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C24945.5Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #22COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C24908.3Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #23COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO)C24956.8Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #24COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C24924.5Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #25COC1=CC2=C(C=C1O)C(C1=CC=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(OC)=C1)C(CO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C24917.1Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #26COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C24991.3Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #27COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C24970.7Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #28COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C24995.7Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #29COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C24973.3Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #3COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C(C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4964.3Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #30COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C24992.6Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #31COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO[Si](C)(C)C(C)(C)C)C25000.2Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #32COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO)C25058.2Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #33COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO)C25098.4Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #34COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO)C25100.6Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #35COC1=CC2=C(C=C1O)C(C1=CC=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(OC)=C1)C(CO)C(CO)C25074.3Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #4COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C(C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4968.5Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #5COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO[Si](C)(C)C(C)(C)C)C2CO)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4978.9Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #6COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C(C)(C)C)=CC=C1OC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4926.2Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #7COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C(C)(C)C)=CC=C1OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4914.8Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #8COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C(C)(C)C)=CC=C1OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4920.1Semi standard non polar33892256
Isolariciresinol glucuronide,3TBDMS,isomer #9COC1=CC(C2C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC)C=C3CC(CO)C2CO[Si](C)(C)C(C)(C)C)=CC=C1OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4927.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isolariciresinol glucuronide GC-MS (TMS_2_18) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol glucuronide 10V, Negative-QTOFsplash10-000i-0000490000-3f733f0c1d4147aa67922021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol glucuronide 20V, Negative-QTOFsplash10-002r-0002920000-ff32bb8b80d7bf3d2c812021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol glucuronide 40V, Negative-QTOFsplash10-03gu-0012940000-7c0a05999f3f5e45639d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol glucuronide 10V, Positive-QTOFsplash10-0uy0-0000290000-111940db452586a5f2a22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol glucuronide 20V, Positive-QTOFsplash10-0udi-0001490000-569ba141d985aeb9604e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isolariciresinol glucuronide 40V, Positive-QTOFsplash10-004i-0319340000-18a8e9a1fe65629003b02021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
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 ReferencesNot Available