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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 01:28:22 UTC
Update Date2022-03-07 02:56:24 UTC
HMDB IDHMDB0039929
Secondary Accession Numbers
  • HMDB39929
Metabolite Identification
Common Name2''-O-Acetylrutin
Description2''-O-Acetylrutin belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. 2''-O-Acetylrutin has been detected, but not quantified in, fruits and herbs and spices. This could make 2''-O-acetylrutin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2''-O-Acetylrutin.
Structure
Data?1563863462
Synonyms
ValueSource
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl acetic acidGenerator
2''-O-AcetylrutinMeSH
Chemical FormulaC29H32O17
Average Molecular Weight652.5542
Monoisotopic Molecular Weight652.163949598
IUPAC Name2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl acetate
Traditional Name2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl acetate
CAS Registry NumberNot Available
SMILES
CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC(C)=O)C(O)C2O)C(O)C(O)C1O
InChI Identifier
InChI=1S/C29H32O17/c1-9-19(35)22(38)24(40)28(42-9)41-8-17-20(36)23(39)27(43-10(2)30)29(45-17)46-26-21(37)18-15(34)6-12(31)7-16(18)44-25(26)11-3-4-13(32)14(33)5-11/h3-7,9,17,19-20,22-24,27-29,31-36,38-40H,8H2,1-2H3
InChI KeyOTLZRRUHHNDQIU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-3-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-3-o-glycoside
  • 3'-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavone
  • Hydroxyflavonoid
  • Chromone
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • 1-benzopyran
  • Benzopyran
  • Catechol
  • Pyranone
  • 1-hydroxy-4-unsubstituted benzenoid
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Monocyclic benzene moiety
  • Pyran
  • Oxane
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Acetal
  • Oxacycle
  • Carboxylic acid derivative
  • Polyol
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Organic oxygen compound
  • Organic oxide
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.3 g/LALOGPS
logP0.82ALOGPS
logP-0.43ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)6.43ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area271.59 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity149.3 m³·mol⁻¹ChemAxon
Polarizability61.62 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+233.70930932474
DeepCCS[M-H]-231.88430932474
DeepCCS[M-2H]-265.12630932474
DeepCCS[M+Na]+239.31530932474
AllCCS[M+H]+238.932859911
AllCCS[M+H-H2O]+237.932859911
AllCCS[M+NH4]+239.832859911
AllCCS[M+Na]+240.032859911
AllCCS[M-H]-236.232859911
AllCCS[M+Na-2H]-238.932859911
AllCCS[M+HCOO]-241.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2''-O-AcetylrutinCC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC(C)=O)C(O)C2O)C(O)C(O)C1O6274.7Standard polar33892256
2''-O-AcetylrutinCC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC(C)=O)C(O)C2O)C(O)C(O)C1O5105.1Standard non polar33892256
2''-O-AcetylrutinCC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC(C)=O)C(O)C2O)C(O)C(O)C1O5797.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2''-O-Acetylrutin,1TMS,isomer #1CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5582.0Semi standard non polar33892256
2''-O-Acetylrutin,1TMS,isomer #2CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5565.1Semi standard non polar33892256
2''-O-Acetylrutin,1TMS,isomer #3CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5558.6Semi standard non polar33892256
2''-O-Acetylrutin,1TMS,isomer #4CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5578.0Semi standard non polar33892256
2''-O-Acetylrutin,1TMS,isomer #5CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C5570.1Semi standard non polar33892256
2''-O-Acetylrutin,1TMS,isomer #6CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O5561.7Semi standard non polar33892256
2''-O-Acetylrutin,1TMS,isomer #7CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O5543.6Semi standard non polar33892256
2''-O-Acetylrutin,1TMS,isomer #8CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O5532.3Semi standard non polar33892256
2''-O-Acetylrutin,1TMS,isomer #9CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O5549.1Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #1CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5443.2Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #10CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5397.8Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #11CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O5437.9Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #12CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O5393.4Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #13CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O5417.5Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #14CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O5463.5Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #15CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C5447.3Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #16CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5423.6Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #17CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O5400.6Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #18CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O5348.6Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #19CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O5381.0Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #2CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5426.3Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #20CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O5424.0Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #21CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C5406.7Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #22CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O5421.0Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #23CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O5371.3Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #24CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O5399.7Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #25CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O5440.8Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #26CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C5427.8Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #27CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C5453.3Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #28CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C5424.1Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #29CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5444.5Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #3CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5437.6Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #30CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5515.8Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #31CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O5470.6Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #32CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O5441.9Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #33CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5460.6Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #34CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O5434.5Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #35CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O5443.5Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #36CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O5446.8Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #4CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O5458.5Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #5CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O5420.9Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #6CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O5443.9Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #7CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O5477.6Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #8CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C5465.8Semi standard non polar33892256
2''-O-Acetylrutin,2TMS,isomer #9CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5417.8Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #1CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5308.4Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #10CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O5208.0Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #11CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O5259.5Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #12CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O5296.2Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #13CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C5276.8Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #14CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O5327.7Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #15CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O5259.3Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #16CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O5301.1Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #17CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O5333.2Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #18CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C5319.0Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #19CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O5328.8Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #2CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5276.1Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #20CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O5327.3Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #21CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O5369.5Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #22CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C5352.0Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #23CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O5319.7Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #24CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O5321.1Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #25CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C5297.2Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #26CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5346.5Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #27CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5327.7Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #28CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5393.7Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #29CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5273.3Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #3CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O5300.7Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #30CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O5271.0Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #31CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O5187.6Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #32CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O5244.1Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #33CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O5278.8Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #34CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C5259.4Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #35CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O5248.9Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #36CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O5162.1Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #37CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O5219.0Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #38CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O5264.2Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #39CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C5240.8Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #4CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O5228.7Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #40CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O5294.2Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #41CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O5292.2Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #42CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O5341.0Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #43CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C5320.0Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #44CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O5283.1Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #45CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O5291.7Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #46CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C5266.2Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #47CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5312.8Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #48CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5293.3Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #49CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5372.5Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #5CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O5278.3Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #50CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O5295.9Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #51CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O5227.8Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #52CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O5272.9Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #53CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O5302.4Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #54CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C5289.0Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #55CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O5243.3Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #56CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O5245.4Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #57CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O5288.7Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #58CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C5266.9Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #59CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O5234.3Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #6CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O5309.5Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #60CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O5228.4Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #61CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C5200.2Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #62CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5264.9Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #63CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5240.4Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #64CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5318.9Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #65CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O5262.1Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #66CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O5265.1Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #67CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O5305.1Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #68CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C5285.4Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #69CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O5254.5Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #7CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C5291.5Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #70CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O5242.4Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #71CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C5219.0Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #72CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5280.6Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #73CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5260.4Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #74CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5328.2Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #75CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C5325.5Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #76CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5325.1Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #77CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5396.5Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #78CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5314.6Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #79CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5358.1Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #8CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5256.5Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #80CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C5376.4Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #81CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O5348.9Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #82CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5346.0Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #83CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5345.5Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #84CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O5337.4Semi standard non polar33892256
2''-O-Acetylrutin,3TMS,isomer #9CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O5282.8Semi standard non polar33892256
2''-O-Acetylrutin,1TBDMS,isomer #1CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5759.6Semi standard non polar33892256
2''-O-Acetylrutin,1TBDMS,isomer #2CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5739.5Semi standard non polar33892256
2''-O-Acetylrutin,1TBDMS,isomer #3CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5733.2Semi standard non polar33892256
2''-O-Acetylrutin,1TBDMS,isomer #4CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5755.5Semi standard non polar33892256
2''-O-Acetylrutin,1TBDMS,isomer #5CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5791.5Semi standard non polar33892256
2''-O-Acetylrutin,1TBDMS,isomer #6CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5788.9Semi standard non polar33892256
2''-O-Acetylrutin,1TBDMS,isomer #7CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5759.4Semi standard non polar33892256
2''-O-Acetylrutin,1TBDMS,isomer #8CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5749.6Semi standard non polar33892256
2''-O-Acetylrutin,1TBDMS,isomer #9CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O5779.1Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #1CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5820.2Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #10CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5758.0Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #11CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O5797.1Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #12CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5744.1Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #13CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5761.9Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #14CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5816.0Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #15CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5806.5Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #16CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5787.7Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #17CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O5769.1Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #18CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5710.2Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #19CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5722.9Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #2CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5791.4Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #20CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5784.7Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #21CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5779.9Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #22CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O5796.6Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #23CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5739.7Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #24CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5750.5Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #25CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5811.0Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #26CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5806.7Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #27CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5821.7Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #28CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5771.8Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #29CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5790.7Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #3CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5798.0Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #30CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5862.9Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #31CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5823.0Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #32CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5773.6Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #33CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5790.7Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #34CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5779.8Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #35CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5776.1Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #36CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5790.1Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #4CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O5826.5Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #5CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O5771.6Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #6CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O5789.4Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #7CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O5838.0Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #8CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C5833.2Semi standard non polar33892256
2''-O-Acetylrutin,2TBDMS,isomer #9CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(COC2OC(C)C(O)C(O)C2O)C(O)C1O5788.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_1_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2''-O-Acetylrutin GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylrutin 10V, Positive-QTOFsplash10-0udr-1129137000-7ed0a21bcd18305858b62016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylrutin 20V, Positive-QTOFsplash10-0udi-0249211000-8e744f993c6e1d47d5c82016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylrutin 40V, Positive-QTOFsplash10-0udr-3977000000-eab994d5cbc52c521f802016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylrutin 10V, Negative-QTOFsplash10-0zfr-9318157000-e3d886b463f684c55c4a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylrutin 20V, Negative-QTOFsplash10-0pb9-9427001000-caf858417a2ce23494ce2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylrutin 40V, Negative-QTOFsplash10-0a4i-9321000000-51f4d0c1dce87eb0aa232016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylrutin 10V, Negative-QTOFsplash10-0udi-0000009000-1d650c970d9dcbd3e0722021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylrutin 20V, Negative-QTOFsplash10-0udi-0005009000-cc32b99f9040503396e62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylrutin 40V, Negative-QTOFsplash10-0udi-0019001000-0bdc5fe7ef00a5aa18f92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylrutin 10V, Positive-QTOFsplash10-0udi-0009002000-096a012b6d0797d638e42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylrutin 20V, Positive-QTOFsplash10-0udi-0009009000-9bad4281164e2a5dd4082021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2''-O-Acetylrutin 40V, Positive-QTOFsplash10-0udi-0009000000-58b2754f892c40f076992021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart 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 IDFDB019591
KNApSAcK IDNot Available
Chemspider ID20120165
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound21159150
PDB IDNot Available
ChEBI ID35782
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.. .