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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:09:57 UTC
Update Date2022-03-07 02:55:56 UTC
HMDB IDHMDB0038820
Secondary Accession Numbers
  • HMDB38820
Metabolite Identification
Common NameIsorhamnetin 3-(6''-malonylglucoside)
DescriptionIsorhamnetin 3-(6''-malonylglucoside) 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. Isorhamnetin 3-(6''-malonylglucoside) has been detected, but not quantified in, pears (Pyrus communis) and pomes. This could make isorhamnetin 3-(6''-malonylglucoside) a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Isorhamnetin 3-(6''-malonylglucoside).
Structure
Data?1563863264
Synonyms
ValueSource
3-[(6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoateGenerator
Chemical FormulaC25H24O15
Average Molecular Weight564.4491
Monoisotopic Molecular Weight564.111520098
IUPAC Name3-[(6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid
Traditional Name3-[(6-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid
CAS Registry Number86555-37-5
SMILES
COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC(=O)CC(O)=O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1
InChI Identifier
InChI=1S/C25H24O15/c1-36-13-4-9(2-3-11(13)27)23-24(20(33)18-12(28)5-10(26)6-14(18)38-23)40-25-22(35)21(34)19(32)15(39-25)8-37-17(31)7-16(29)30/h2-6,15,19,21-22,25-28,32,34-35H,7-8H2,1H3,(H,29,30)
InChI KeyQCPKSTMYFZPGOX-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
  • 3p-methoxyflavonoid-skeleton
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavone
  • Hydroxyflavonoid
  • Chromone
  • Glycosyl compound
  • O-glycosyl compound
  • 1-benzopyran
  • Benzopyran
  • Methoxyphenol
  • Methoxybenzene
  • Anisole
  • Phenoxy compound
  • Phenol ether
  • Alkyl aryl ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • Pyranone
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Monocyclic benzene moiety
  • 1,3-dicarbonyl compound
  • Dicarboxylic acid or derivatives
  • Pyran
  • Monosaccharide
  • Oxane
  • Heteroaromatic compound
  • Vinylogous acid
  • Carboxylic acid ester
  • Secondary alcohol
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Ether
  • Acetal
  • Polyol
  • Carboxylic acid
  • Oxacycle
  • Organooxygen compound
  • Carbonyl group
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • 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 Solubility0.86 g/LALOGPS
logP1.29ALOGPS
logP0.33ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)3.49ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area238.97 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity129.25 m³·mol⁻¹ChemAxon
Polarizability52.47 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+216.75930932474
DeepCCS[M-H]-214.36330932474
DeepCCS[M-2H]-247.38630932474
DeepCCS[M+Na]+222.9330932474
AllCCS[M+H]+223.032859911
AllCCS[M+H-H2O]+221.432859911
AllCCS[M+NH4]+224.432859911
AllCCS[M+Na]+224.932859911
AllCCS[M-H]-221.732859911
AllCCS[M+Na-2H]-223.232859911
AllCCS[M+HCOO]-225.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Isorhamnetin 3-(6''-malonylglucoside)COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC(=O)CC(O)=O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O17232.7Standard polar33892256
Isorhamnetin 3-(6''-malonylglucoside)COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC(=O)CC(O)=O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O14449.0Standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside)COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC(=O)CC(O)=O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O15125.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Isorhamnetin 3-(6''-malonylglucoside),1TMS,isomer #1COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4920.6Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),1TMS,isomer #2COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4832.9Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),1TMS,isomer #3COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4930.5Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),1TMS,isomer #4COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4928.6Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),1TMS,isomer #5COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4939.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),1TMS,isomer #6COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4909.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),1TMS,isomer #7COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4948.9Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #1COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4789.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #10COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4658.2Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #11COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4687.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #12COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4788.0Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #13COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4756.2Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #14COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4815.1Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #15COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4832.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #16COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4754.5Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #17COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4722.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #18COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4807.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #19COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4791.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #2COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4754.9Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #20COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4756.9Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #21COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4713.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #3COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4680.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #4COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4806.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #5COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4788.2Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #6COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4808.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #7COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4658.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #8COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4624.6Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TMS,isomer #9COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4685.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #1COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4584.1Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #10COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4592.0Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #11COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4544.5Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #12COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4611.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #13COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4716.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #14COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4748.2Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #15COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4722.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #16COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4506.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #17COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4543.1Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #18COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4510.0Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #19COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4558.1Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #2COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4552.1Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #20COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4513.0Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #21COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4479.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #22COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4527.1Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #23COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4592.5Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #24COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4645.0Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #25COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4598.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #26COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4584.6Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #27COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4659.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #28COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4701.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #29COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4634.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #3COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4672.6Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #30COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4681.6Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #31COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4777.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #32COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4549.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #33COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4671.1Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #34COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4641.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #35COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4605.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #4COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4614.1Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #5COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4695.1Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #6COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4514.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #7COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4636.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #8COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4580.2Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),3TMS,isomer #9COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4657.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #1COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4433.1Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #10COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4603.9Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #11COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4458.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #12COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4422.2Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #13COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4477.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #14COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4553.5Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #15COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4603.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #16COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4567.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #17COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4534.0Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #18COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4575.2Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #19COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4543.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #2COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4525.0Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #20COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C4698.9Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #21COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4452.6Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #22COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4468.6Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #23COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4453.0Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #24COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4479.9Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #25COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4511.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #26COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4485.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #27COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4454.5Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #28COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4493.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #29COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4460.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #3COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4475.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #30COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O4578.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #31COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4505.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #32COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4545.5Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #33COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4635.5Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #34COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O4607.1Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #35COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O4512.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #4COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4550.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #5COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4493.5Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #6COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4456.0Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #7COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4512.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #8COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4588.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),4TMS,isomer #9COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C4634.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),1TBDMS,isomer #1COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C5154.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),1TBDMS,isomer #2COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O5110.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),1TBDMS,isomer #3COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O5188.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),1TBDMS,isomer #4COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O5196.2Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),1TBDMS,isomer #5COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O5193.8Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),1TBDMS,isomer #6COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O5131.5Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),1TBDMS,isomer #7COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O5155.2Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #1COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C5190.1Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #10COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O5123.2Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #11COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O5139.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #12COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O5182.0Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #13COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O5157.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #14COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O5213.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #15COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O5230.6Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #16COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O5174.0Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #17COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O5145.2Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #18COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O5210.9Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #19COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O5186.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #2COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C5167.9Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #20COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O5162.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #21COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O5170.2Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #3COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C5141.1Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #4COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C5192.9Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #5COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C5180.7Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #6COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C5201.4Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #7COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O5134.3Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #8COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O5108.2Semi standard non polar33892256
Isorhamnetin 3-(6''-malonylglucoside),2TBDMS,isomer #9COC1=CC(C2=C(OC3OC(COC(=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O5131.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (Non-derivatized) - 70eV, Positivesplash10-000b-9322430000-6e098d98ac11717d3da22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (1 TMS) - 70eV, Positivesplash10-00ri-9320124000-5e1bfd772c4e648034fe2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS ("Isorhamnetin 3-(6''-malonylglucoside),1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) 10V, Negative-QTOFsplash10-0i0r-7714290000-7b438128fe22535b65352016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) 20V, Negative-QTOFsplash10-0ldi-9646130000-86dbebed25d4301903572016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) 40V, Negative-QTOFsplash10-0kub-6694000000-2151279532d2e81fe2d22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) 10V, Negative-QTOFsplash10-03di-0000090000-569c81f98e8aa3f83c902021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) 20V, Negative-QTOFsplash10-03di-0300090000-8db1b0f15ce7f8591da12021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) 40V, Negative-QTOFsplash10-0fzl-1910030000-e42cf5ed22f362ef7a0a2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) 10V, Positive-QTOFsplash10-014i-2017290000-0dc4facbfb8d771142802016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) 20V, Positive-QTOFsplash10-014i-1039110000-5defa2ee9c5a17616b732016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) 40V, Positive-QTOFsplash10-0fri-4669000000-527a7e789fb71807c1062016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) 10V, Positive-QTOFsplash10-014i-0000090000-b3f5452558c8509d48502021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) 20V, Positive-QTOFsplash10-014i-0000090000-3588781718b259d655c92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isorhamnetin 3-(6''-malonylglucoside) 40V, Positive-QTOFsplash10-0gb9-1900140000-766fd16affc3b46189cb2021-09-22Wishart 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 IDFDB018247
KNApSAcK IDC00006006
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound74977620
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.. .