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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:14:42 UTC
Update Date2022-03-07 02:54:05 UTC
HMDB IDHMDB0034405
Secondary Accession Numbers
  • HMDB34405
Metabolite Identification
Common Namew-O-beta-D-Glucopyranosylaloeemodin
Descriptionw-O-beta-D-Glucopyranosylaloeemodin belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. w-O-beta-D-Glucopyranosylaloeemodin has been detected, but not quantified in, green vegetables. This could make W-O-beta-D-glucopyranosylaloeemodin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on w-O-beta-D-Glucopyranosylaloeemodin.
Structure
Data?1563862558
Synonyms
ValueSource
W-O-b-D-GlucopyranosylaloeemodinGenerator
W-O-Β-D-glucopyranosylaloeemodinGenerator
Chemical FormulaC21H20O10
Average Molecular Weight432.3775
Monoisotopic Molecular Weight432.10564686
IUPAC Name1,8-dihydroxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-9,10-dihydroanthracene-9,10-dione
Traditional Name1,8-dihydroxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)anthracene-9,10-dione
CAS Registry Number50488-89-6
SMILES
OCC1OC(OCC2=CC3=C(C(O)=C2)C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O
InChI Identifier
InChI=1S/C21H20O10/c22-6-13-17(26)19(28)20(29)21(31-13)30-7-8-4-10-15(12(24)5-8)18(27)14-9(16(10)25)2-1-3-11(14)23/h1-5,13,17,19-24,26,28-29H,6-7H2
InChI KeyASQHVCDULHERIH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
KingdomOrganic compounds
Super ClassBenzenoids
ClassAnthracenes
Sub ClassAnthraquinones
Direct ParentAnthraquinones
Alternative Parents
Substituents
  • 9,10-anthraquinone
  • Anthraquinone
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Aryl ketone
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monosaccharide
  • Oxane
  • Vinylogous acid
  • Ketone
  • Secondary alcohol
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Primary alcohol
  • Organic oxide
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point187 - 189 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.77 g/LALOGPS
logP0.79ALOGPS
logP1.07ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)9ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area173.98 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity104.34 m³·mol⁻¹ChemAxon
Polarizability42.42 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+201.25231661259
DarkChem[M-H]-194.9631661259
DeepCCS[M+H]+195.57130932474
DeepCCS[M-H]-193.17630932474
DeepCCS[M-2H]-226.33130932474
DeepCCS[M+Na]+201.48430932474
AllCCS[M+H]+198.832859911
AllCCS[M+H-H2O]+196.432859911
AllCCS[M+NH4]+201.032859911
AllCCS[M+Na]+201.632859911
AllCCS[M-H]-195.332859911
AllCCS[M+Na-2H]-195.532859911
AllCCS[M+HCOO]-195.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
w-O-beta-D-GlucopyranosylaloeemodinOCC1OC(OCC2=CC3=C(C(O)=C2)C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O4629.4Standard polar33892256
w-O-beta-D-GlucopyranosylaloeemodinOCC1OC(OCC2=CC3=C(C(O)=C2)C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O3766.3Standard non polar33892256
w-O-beta-D-GlucopyranosylaloeemodinOCC1OC(OCC2=CC3=C(C(O)=C2)C(=O)C2=C(C=CC=C2O)C3=O)C(O)C(O)C1O4046.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
w-O-beta-D-Glucopyranosylaloeemodin,1TMS,isomer #1C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O3922.9Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,1TMS,isomer #2C[Si](C)(C)OC1=CC(COC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O3915.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,1TMS,isomer #3C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O)C(O)C3O)C=C1C2=O3946.2Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,1TMS,isomer #4C[Si](C)(C)OC1C(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)OC(CO)C(O)C1O3849.8Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,1TMS,isomer #5C[Si](C)(C)OC1C(O)C(CO)OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C1O3873.4Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,1TMS,isomer #6C[Si](C)(C)OC1C(CO)OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C1O3886.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #1C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O3798.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #10C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C1C2=O3804.9Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #11C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C1C2=O3776.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #12C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C1C2=O3765.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #13C[Si](C)(C)OC1C(CO)OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C1O3729.8Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #14C[Si](C)(C)OC1C(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)OC(CO)C(O)C1O[Si](C)(C)C3742.0Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #15C[Si](C)(C)OC1C(CO)OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C1O[Si](C)(C)C3728.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #2C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O3837.7Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #3C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O)C1O3753.0Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #4C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C)C1O3774.7Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #5C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O[Si](C)(C)C3790.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #6C[Si](C)(C)OC1=CC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O3775.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #7C[Si](C)(C)OC1=CC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O3744.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #8C[Si](C)(C)OC1=CC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O3730.8Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TMS,isomer #9C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(COC3OC(CO)C(O)C(O)C3O)C=C1C2=O3875.9Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #1C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O3790.2Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #10C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3699.0Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #11C[Si](C)(C)OC1=CC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O3664.7Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #12C[Si](C)(C)OC1=CC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O3674.9Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #13C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=C1C2=O3779.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #14C[Si](C)(C)OC1=CC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O3674.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #15C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=C1C2=O3722.2Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #16C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=C1C2=O3729.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #17C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C1C2=O3680.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #18C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C1C2=O3696.2Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #19C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C1C2=O3689.7Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #2C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O)C1O3694.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #20C[Si](C)(C)OC1C(CO)OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C3692.9Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #3C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C)C1O3691.2Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #4C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O[Si](C)(C)C3724.5Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #5C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O)C1O3718.8Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #6C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C)C1O3712.8Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #7C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O[Si](C)(C)C3748.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #8C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3704.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TMS,isomer #9C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3744.2Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #1C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O)C1O3693.9Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #10C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3736.5Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #11C[Si](C)(C)OC1=CC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O3667.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #12C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=C1C2=O3672.7Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #13C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=C1C2=O3687.4Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #14C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C1C2=O3676.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #15C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C1C2=O3668.5Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #2C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C)C1O3690.0Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #3C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O[Si](C)(C)C3720.8Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #4C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3669.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #5C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3717.8Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #6C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3661.2Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #7C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3681.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #8C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3728.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TMS,isomer #9C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3674.8Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,5TMS,isomer #1C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3672.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,5TMS,isomer #2C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3708.0Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,5TMS,isomer #3C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3666.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,5TMS,isomer #4C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3714.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,5TMS,isomer #5C[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3721.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,5TMS,isomer #6C[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C=C(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=C1C2=O3660.4Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,6TMS,isomer #1C[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3722.5Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O4145.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(COC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O4119.7Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O)C(O)C3O)C=C1C2=O4158.7Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)OC(CO)C(O)C1O4120.4Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C1O4135.9Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C1O4153.0Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O4245.7Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C1C2=O4302.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C1C2=O4280.7Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C1C2=O4258.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C(C)(C)C)C1O4264.0Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4281.5Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C1O[Si](C)(C)C(C)(C)C4264.8Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O4287.2Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4245.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4263.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4271.5Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O4263.0Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O4237.9Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O4224.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(COC3OC(CO)C(O)C(O)C3O)C=C1C2=O4335.7Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O4449.4Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4417.8Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O4340.5Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O4353.0Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=C1C2=O4465.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O4359.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=C1C2=O4440.0Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=C1C2=O4426.2Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=C1C2=O4398.2Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=C1C2=O4402.8Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C1C2=O4415.2Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4347.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4402.2Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4354.8Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4376.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4394.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4406.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4425.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4416.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4457.5Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4542.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4622.9Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C=CC=C1C2=O4463.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=C1C2=O4543.9Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=C1C2=O4543.4Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C=C(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=C1C2=O4552.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=CC2=C1C(=O)C1=C(O)C=C(COC3OC(CO)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=C1C2=O4509.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4556.2Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4573.6Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4503.0Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4546.9Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4499.3Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4543.1Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(=O)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4599.4Semi standard non polar33892256
w-O-beta-D-Glucopyranosylaloeemodin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OCC2=CC(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4C(=O)C3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4541.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0w90-7914700000-a5f16472b36579ae0a5f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin GC-MS (3 TMS) - 70eV, Positivesplash10-001i-7342019000-fee0d0f05d625fd197692017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin 6V, Negative-QTOFsplash10-0udi-0190000000-d0bb711f66f6ec4c20d92021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin 10V, Positive-QTOFsplash10-00lr-0121900000-c06df0be5f13473604c52016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin 20V, Positive-QTOFsplash10-00di-1792300000-08cc2a5bd96f399643d02016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin 40V, Positive-QTOFsplash10-00dl-9762000000-05d82aee5ad8ca542bda2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin 10V, Negative-QTOFsplash10-001i-1120900000-540482ae8b7c0e06a6c02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin 20V, Negative-QTOFsplash10-044i-8784900000-ec6ae516787114f7fb202016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin 40V, Negative-QTOFsplash10-05to-9160000000-51cbea02df6e721ae20b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin 10V, Positive-QTOFsplash10-0ff0-0081900000-c9940f2f452fc44484072021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin 20V, Positive-QTOFsplash10-0uk9-0093100000-f2ffe79932bdea0baf772021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin 40V, Positive-QTOFsplash10-0pvj-3292000000-5a5c452a9879f7e81b5a2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin 10V, Negative-QTOFsplash10-001i-0210900000-2e39361464ee80662b1c2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin 20V, Negative-QTOFsplash10-0gb9-3191300000-16dd2f91fd99827823552021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - w-O-beta-D-Glucopyranosylaloeemodin 40V, Negative-QTOFsplash10-0udu-4191000000-4ae552efdfb8a9e4aa192021-09-25Wishart 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 IDFDB012795
KNApSAcK IDNot Available
Chemspider ID26503152
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53462441
PDB IDNot Available
ChEBI ID176082
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.. .