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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:09:43 UTC
Update Date2022-03-07 02:55:55 UTC
HMDB IDHMDB0038816
Secondary Accession Numbers
  • HMDB38816
Metabolite Identification
Common Name2''-O-Acetylisoorientin
Description2''-O-Acetylisoorientin belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 2''-O-Acetylisoorientin has been detected, but not quantified in, green vegetables and sorrels (Rumex acetosa). This could make 2''-O-acetylisoorientin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2''-O-Acetylisoorientin.
Structure
Data?1563863263
Synonyms
ValueSource
Isoorientin 2''-acetateHMDB
2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetic acidGenerator
Chemical FormulaC23H22O12
Average Molecular Weight490.4136
Monoisotopic Molecular Weight490.111126168
IUPAC Name2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
Traditional Name2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
CAS Registry Number131508-00-4
SMILES
CC(=O)OC1C(O)C(O)C(CO)OC1C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O
InChI Identifier
InChI=1S/C23H22O12/c1-8(25)33-23-21(32)19(30)16(7-24)35-22(23)18-13(29)6-15-17(20(18)31)12(28)5-14(34-15)9-2-3-10(26)11(27)4-9/h2-6,16,19,21-24,26-27,29-32H,7H2,1H3
InChI KeyLZCYTIIPENLJKB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid C-glycosides
Alternative Parents
Substituents
  • Flavonoid c-glycoside
  • 3'-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Flavone
  • Phenolic glycoside
  • Hexose monosaccharide
  • Glycosyl compound
  • Chromone
  • C-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Catechol
  • Pyranone
  • 1-hydroxy-4-unsubstituted benzenoid
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Oxane
  • Benzenoid
  • Monosaccharide
  • Monocyclic benzene moiety
  • Pyran
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Carboxylic acid ester
  • Oxacycle
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Ether
  • Dialkyl ether
  • Primary alcohol
  • Organic oxide
  • Organooxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Alcohol
  • 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 Point209 - 210 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.15 g/LALOGPS
logP1.2ALOGPS
logP0.087ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)6.2ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area203.44 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity117.16 m³·mol⁻¹ChemAxon
Polarizability47.52 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+199.39330932474
DeepCCS[M-H]-196.99830932474
DeepCCS[M-2H]-229.8830932474
DeepCCS[M+Na]+205.38630932474
AllCCS[M+H]+214.732859911
AllCCS[M+H-H2O]+212.532859911
AllCCS[M+NH4]+216.832859911
AllCCS[M+Na]+217.432859911
AllCCS[M-H]-213.832859911
AllCCS[M+Na-2H]-215.032859911
AllCCS[M+HCOO]-216.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2''-O-AcetylisoorientinCC(=O)OC1C(O)C(O)C(CO)OC1C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O5793.9Standard polar33892256
2''-O-AcetylisoorientinCC(=O)OC1C(O)C(O)C(CO)OC1C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O4114.3Standard non polar33892256
2''-O-AcetylisoorientinCC(=O)OC1C(O)C(O)C(CO)OC1C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O4708.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2''-O-Acetylisoorientin,1TMS,isomer #1CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C4539.7Semi standard non polar33892256
2''-O-Acetylisoorientin,1TMS,isomer #2CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O4516.3Semi standard non polar33892256
2''-O-Acetylisoorientin,1TMS,isomer #3CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O4495.8Semi standard non polar33892256
2''-O-Acetylisoorientin,1TMS,isomer #4CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O4461.0Semi standard non polar33892256
2''-O-Acetylisoorientin,1TMS,isomer #5CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4510.9Semi standard non polar33892256
2''-O-Acetylisoorientin,1TMS,isomer #6CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4533.0Semi standard non polar33892256
2''-O-Acetylisoorientin,1TMS,isomer #7CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4527.1Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #1CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C4421.7Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #10CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O4353.9Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #11CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4401.6Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #12CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O4392.8Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #13CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O4379.2Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #14CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O4356.2Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #15CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O4342.4Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #16CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O4402.4Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #17CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O4360.8Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #18CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O4332.7Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #19CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4377.9Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #2CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C4417.8Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #20CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4399.9Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #21CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4400.6Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #3CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C4392.8Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #4CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C4361.9Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #5CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4410.8Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #6CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4456.0Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #7CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O4404.2Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #8CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O4391.9Semi standard non polar33892256
2''-O-Acetylisoorientin,2TMS,isomer #9CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O4364.1Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #1CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C4249.5Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #10CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C4167.6Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #11CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4241.3Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #12CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4264.9Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #13CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4235.4Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #14CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4264.7Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #15CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4338.0Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #16CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O4228.6Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #17CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O4201.2Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #18CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O4257.6Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #19CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4293.0Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #2CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C4224.4Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #20CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O4260.2Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #21CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O4174.2Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #22CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4257.9Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #23CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O4147.3Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #24CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4234.9Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #25CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4243.9Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #26CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O4230.8Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #27CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O4212.3Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #28CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O4266.8Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #29CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O4259.7Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #3CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C4266.7Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #30CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O4183.3Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #31CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O4163.5Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #32CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O4268.6Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #33CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O4246.1Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #34CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O4222.8Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #35CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4269.7Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #4CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4288.3Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #5CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4315.9Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #6CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C4276.1Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #7CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C4193.4Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #8CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4262.6Semi standard non polar33892256
2''-O-Acetylisoorientin,3TMS,isomer #9CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4290.0Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #1CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C4189.1Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #10CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4248.4Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #11CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C4128.5Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #12CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4189.7Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #13CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4213.6Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #14CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4105.3Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #15CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4116.1Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #16CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4207.8Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #17CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4087.8Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #18CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4095.1Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #19CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4189.4Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #2CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C4181.0Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #20CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4200.1Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #21CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O4180.0Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #22CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O4156.7Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #23CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4175.6Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #24CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O4132.7Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #25CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4153.0Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #26CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4178.3Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #27CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O4119.1Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #28CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4199.6Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #29CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4110.1Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #3CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4172.8Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #30CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4091.0Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #31CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O4170.0Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #32CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O4142.0Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #33CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O4126.7Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #34CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O4109.2Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #35CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O4196.9Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #4CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4179.1Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #5CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C4154.0Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #6CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4150.1Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #7CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4158.0Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #8CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4156.8Semi standard non polar33892256
2''-O-Acetylisoorientin,4TMS,isomer #9CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4174.4Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #1CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C4123.0Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #10CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4111.8Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #11CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4069.6Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #12CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4104.7Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #13CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4183.0Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #14CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4089.7Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #15CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4074.4Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #16CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O4122.1Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #17CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4144.3Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #18CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4116.9Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #19CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4099.7Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #2CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4135.6Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #20CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O4087.9Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #21CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O4104.0Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #3CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4156.1Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #4CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4106.0Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #5CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4094.5Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #6CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4151.1Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #7CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C4089.0Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #8CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C4078.2Semi standard non polar33892256
2''-O-Acetylisoorientin,5TMS,isomer #9CC(=O)OC1C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4133.7Semi standard non polar33892256
2''-O-Acetylisoorientin,1TBDMS,isomer #1CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4804.6Semi standard non polar33892256
2''-O-Acetylisoorientin,1TBDMS,isomer #2CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O4782.4Semi standard non polar33892256
2''-O-Acetylisoorientin,1TBDMS,isomer #3CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O4734.7Semi standard non polar33892256
2''-O-Acetylisoorientin,1TBDMS,isomer #4CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O4727.2Semi standard non polar33892256
2''-O-Acetylisoorientin,1TBDMS,isomer #5CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4740.8Semi standard non polar33892256
2''-O-Acetylisoorientin,1TBDMS,isomer #6CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4773.2Semi standard non polar33892256
2''-O-Acetylisoorientin,1TBDMS,isomer #7CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4762.0Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #1CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4853.6Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #10CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O4802.6Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #11CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4848.8Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #12CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O4844.9Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #13CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O4845.3Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #14CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O4810.4Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #15CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O4801.4Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #16CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O4860.1Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #17CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O4840.2Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #18CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O4801.0Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #19CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4840.1Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #2CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4867.8Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #20CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4848.3Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #21CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4877.0Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #3CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4828.3Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #4CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4817.9Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #5CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4864.9Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #6CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4882.3Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #7CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O4839.4Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #8CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O4844.9Semi standard non polar33892256
2''-O-Acetylisoorientin,2TBDMS,isomer #9CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O4805.4Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #1CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4975.8Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #10CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4881.0Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #11CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4910.6Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #12CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4907.8Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #13CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4881.3Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #14CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4882.8Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #15CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4950.0Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #16CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O4950.1Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #17CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O4906.4Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #18CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O4915.4Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #19CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4939.8Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #2CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4933.2Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #20CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O4915.9Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #21CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O4898.7Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #22CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4927.8Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #23CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O4852.1Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #24CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4893.6Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #25CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4876.4Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #26CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O4954.6Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #27CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O4912.1Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #28CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O4910.2Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #29CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O4930.5Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #3CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4936.2Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #30CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O4886.8Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #31CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O4841.0Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #32CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O5017.8Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #33CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O4974.7Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #34CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O4919.8Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #35CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O4976.8Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #4CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4947.0Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #5CC(=O)OC1C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4943.1Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #6CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)=CC(=O)C3=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4941.0Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #7CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4927.3Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #8CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4946.7Semi standard non polar33892256
2''-O-Acetylisoorientin,3TBDMS,isomer #9CC(=O)OC1C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=CC(=O)C3=C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4943.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylisoorientin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ac9-4119500000-96c8d8aae5d8d93624c92017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylisoorientin GC-MS (2 TMS) - 70eV, Positivesplash10-0100-9103755000-b29861cfd6778029fe0b2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylisoorientin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylisoorientin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylisoorientin 10V, Positive-QTOFsplash10-006x-0000900000-195742b210b60b6bdf732016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylisoorientin 20V, Positive-QTOFsplash10-05gm-2110900000-4d09314d76567f15e5e62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylisoorientin 40V, Positive-QTOFsplash10-03dj-3579400000-ceeffd04fce0f17f2bb92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylisoorientin 10V, Negative-QTOFsplash10-000i-2001900000-e88136c78129abeb41992016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylisoorientin 20V, Negative-QTOFsplash10-0a4i-9113400000-6f47bcdcadf8a8303a122016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylisoorientin 40V, Negative-QTOFsplash10-0a4i-9101000000-f788ef8ed4cc2ec0d5fb2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylisoorientin 10V, Positive-QTOFsplash10-0006-0000900000-aedf4f8aa0acdf6cb0522021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylisoorientin 20V, Positive-QTOFsplash10-0006-0000900000-aedf4f8aa0acdf6cb0522021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylisoorientin 40V, Positive-QTOFsplash10-0a4l-0408900000-2ea520335b7c179a2abd2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylisoorientin 10V, Negative-QTOFsplash10-000i-0000900000-132149c151db2d7b51312021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylisoorientin 20V, Negative-QTOFsplash10-000i-0000900000-cf12feafd025ce9aec912021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylisoorientin 40V, Negative-QTOFsplash10-056r-0927500000-c901d08a336803a66fa12021-09-24Wishart 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 IDFDB018242
KNApSAcK IDC00006143
Chemspider ID35014677
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14681458
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.. .