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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:29:08 UTC
Update Date2022-03-07 02:52:05 UTC
HMDB IDHMDB0029243
Secondary Accession Numbers
  • HMDB29243
Metabolite Identification
Common NameCyanidin 3-O-(6''-malonyl-arabinoside)
DescriptionCyanidin 3-O-(6''-malonyl-arabinoside) belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Cyanidin 3-O-(6''-malonyl-arabinoside) is an extremely weak basic (essentially neutral) compound (based on its pKa). A polyphenol compound found in foods of plant origin (PhenolExplorer).
Structure
Data?1582753392
SynonymsNot Available
Chemical FormulaC23H21O13
Average Molecular Weight505.405
Monoisotopic Molecular Weight505.098215758
IUPAC Name3-{[(2R,3S,4S,5R)-5-{[(2-carboxyacetyl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium
Traditional Name3-{[(2R,3S,4S,5R)-5-{[(2-carboxyacetyl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium
CAS Registry NumberNot Available
SMILES
O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H]1O
InChI Identifier
InChI=1S/C23H20O13/c24-10-4-13(26)11-6-16(22(34-15(11)5-10)9-1-2-12(25)14(27)3-9)35-23-21(32)20(31)17(36-23)8-33-19(30)7-18(28)29/h1-6,17,20-21,23,31-32H,7-8H2,(H4-,24,25,26,27,28,29)/p+1/t17-,20-,21+,23+/m1/s1
InChI KeyVXFDROQYRNLBSO-CPDIYIAASA-O
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentAnthocyanidin-3-O-glycosides
Alternative Parents
Substituents
  • Anthocyanidin-3-o-glycoside
  • Flavonoid-3-o-glycoside
  • Hydroxyflavonoid
  • 3'-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Anthocyanidin
  • O-glycosyl compound
  • Glycosyl compound
  • 1-benzopyran
  • Pentose monosaccharide
  • Benzopyran
  • Catechol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Dicarboxylic acid or derivatives
  • 1,3-dicarbonyl compound
  • Monosaccharide
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Secondary alcohol
  • Carboxylic acid ester
  • 1,2-diol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Organooxygen compound
  • Organic oxide
  • Alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.21 g/LALOGPS
logP2.04ALOGPS
logP1.35ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)3.31ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area216.58 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity125.79 m³·mol⁻¹ChemAxon
Polarizability47.39 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
DarkChem[M+H]+216.07131661259
DarkChem[M-H]-206.82931661259
DeepCCS[M+H]+213.12330932474
DeepCCS[M-H]-210.81330932474
DeepCCS[M-2H]-244.20230932474
DeepCCS[M+Na]+219.03630932474
AllCCS[M+H]+211.932859911
AllCCS[M+H-H2O]+210.032859911
AllCCS[M+NH4]+213.732859911
AllCCS[M+Na]+214.232859911
AllCCS[M-H]-210.032859911
AllCCS[M+Na-2H]-210.832859911
AllCCS[M+HCOO]-211.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cyanidin 3-O-(6''-malonyl-arabinoside)O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H]1O7642.0Standard polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside)O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H]1O4196.3Standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside)O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H]1O4748.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cyanidin 3-O-(6''-malonyl-arabinoside),1TMS,isomer #1C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)O[C@@H]1COC(=O)CC(=O)O4598.5Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),1TMS,isomer #2C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O4515.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),1TMS,isomer #3C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C=C124525.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),1TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14567.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),1TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)C=C1O4507.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),1TMS,isomer #6C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)=CC=C1O4511.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),1TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)O[C@H](COC(=O)CC(=O)O)[C@H]1O4598.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)O[C@H](COC(=O)CC(=O)O)[C@H]1O[Si](C)(C)C4523.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #10C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O4322.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #11C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4463.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #12C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14379.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #13C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)C=C1O4358.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #14C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)=CC=C1O4368.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #15C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C)C=C124465.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #16C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14483.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #17C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C14357.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #18C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C14371.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)C=C1O4440.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #2C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O)C=C124470.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #20C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)C=C1O[Si](C)(C)C4406.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #21C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC=C1O4445.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14487.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)C=C1O4444.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #5C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC=C1O4444.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #6C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4461.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #7C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O4358.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #8C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O4373.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TMS,isomer #9C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O4321.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #1C[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C=C124389.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #10C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4312.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #11C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C14276.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #12C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C14271.5Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #13C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4243.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #14C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C4364.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #15C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4234.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #16C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O4203.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #17C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O4167.5Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #18C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O4178.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #19C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4291.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14408.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #20C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O4192.5Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #21C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O4204.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #22C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4311.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #23C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O4225.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #24C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4246.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #25C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4241.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #26C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14320.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #27C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C14232.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #28C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C14238.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #29C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)C=C1O4266.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O4372.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #30C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)C=C1O[Si](C)(C)C4247.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #31C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)=CC=C1O4263.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #32C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C14275.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #33C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C14274.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #34C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C14259.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #35C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C4359.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #4C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O4368.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #5C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4381.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #6C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14327.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)C=C1O4264.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #8C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)=CC=C1O4257.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TMS,isomer #9C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4292.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #1C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14251.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #10C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4164.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #11C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4160.5Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #12C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C14189.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #13C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C14186.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #14C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4134.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C4209.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #16C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4130.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #17C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4159.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #18C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4155.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #19C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C14230.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O4191.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #20C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4190.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #21C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O4203.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #22C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O4202.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #23C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4166.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #24C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O4156.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #25C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4137.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #26C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4135.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #27C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O4184.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #28C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4163.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #29C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4159.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #3C[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)=CC=C1O4189.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #30C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4198.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #31C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C14189.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #32C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C14189.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #33C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C14215.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #34C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C4214.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #35C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C14235.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #4C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4210.5Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #5C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4237.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #6C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C14212.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #7C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C14209.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #8C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4173.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),4TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C4316.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #1C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4102.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #10C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4155.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #11C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4192.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #12C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4192.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #13C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C14193.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #14C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4143.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #15C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C4171.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #16C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O)[C@@H]1O4198.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #17C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4184.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #18C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4185.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #19C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4144.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #2C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=[O+]C2=C14147.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #20C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O4171.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #21C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C14190.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #3C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=[O+]C2=C14151.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #4C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4085.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C4176.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #6C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4085.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #7C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4118.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #8C[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4112.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),5TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=[O+]C2=C14205.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)O[C@@H]1COC(=O)CC(=O)O4861.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O4835.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C=C124793.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14819.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)C=C1O4801.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)=CC=C1O4803.5Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),1TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)O[C@H](COC(=O)CC(=O)O)[C@H]1O4871.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)O[C@H](COC(=O)CC(=O)O)[C@H]1O[Si](C)(C)C(C)(C)C4985.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O4815.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4942.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14833.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)C=C1O4824.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)=CC=C1O4818.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)C=C124918.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14935.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C14837.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C14837.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4922.5Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)C=C124914.5Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4872.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O4914.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14928.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)C=C1O4917.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC=C1O4907.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4934.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O4829.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O4855.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O4817.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=[O+]C(C3=CC=C(O)C(O)=C3)=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)C=C124999.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4954.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C14964.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C14953.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4927.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4977.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4911.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O4905.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O4924.5Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O4913.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4932.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C15033.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](O)[C@@H]1O4959.5Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O4949.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4966.8Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O)[C@@H]1O4924.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4941.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4926.0Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14956.7Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C14983.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C14970.5Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4953.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O4992.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C4929.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O4942.5Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=[O+]C2=C14978.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C14969.6Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]3O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=[O+]C2=C14953.9Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4987.2Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O4978.1Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C5029.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C=C(O[C@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O)C(C3=CC=C(O)C(O)=C3)=[O+]C2=C14941.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)C=C1O4941.3Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)=CC=C1O4929.4Semi standard non polar33892256
Cyanidin 3-O-(6''-malonyl-arabinoside),3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)CC(=O)OC[C@H]1O[C@H](OC2=CC3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4916.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-O-(6''-malonyl-arabinoside) GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4r-9223400000-3cbbabdc5dbb1faa2ca32017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyanidin 3-O-(6''-malonyl-arabinoside) GC-MS (2 TMS) - 70eV, Positivesplash10-053r-9071607000-539add6aa762630cd2912017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-O-(6''-malonyl-arabinoside) 10V, Positive-QTOFsplash10-0a4i-0000090000-adfd5942a0353948eb4e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-O-(6''-malonyl-arabinoside) 20V, Positive-QTOFsplash10-0a4i-1000790000-e910c9c80cba0d6f69a62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-O-(6''-malonyl-arabinoside) 40V, Positive-QTOFsplash10-08fu-8920110000-c6738bb406393f40c44f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-O-(6''-malonyl-arabinoside) 10V, Negative-QTOFsplash10-0udi-1000090000-b68e987e9bc925e5d6102016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-O-(6''-malonyl-arabinoside) 20V, Negative-QTOFsplash10-0pb9-9100270000-e0b2d66643da2687d2502016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-O-(6''-malonyl-arabinoside) 40V, Negative-QTOFsplash10-0a4i-9600000000-6e6f0b3f4820390d01192016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-O-(6''-malonyl-arabinoside) 10V, Positive-QTOFsplash10-000i-0090310000-24795e534cff505efb562021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-O-(6''-malonyl-arabinoside) 20V, Positive-QTOFsplash10-000i-0297600000-ee4baf862f2ec8f451732021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyanidin 3-O-(6''-malonyl-arabinoside) 40V, Positive-QTOFsplash10-0079-4491000000-49e5ec215c33fba25a362021-09-21Wishart 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 ID82
FooDB IDFDB000062
KNApSAcK IDNot Available
Chemspider ID30776745
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131750821
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. Neveu V, Perez-Jimenez J, Vos F, Crespy V, du Chaffaut L, Mennen L, Knox C, Eisner R, Cruz J, Wishart D, Scalbert A: Phenol-Explorer: an online comprehensive database on polyphenol contents in foods. Database (Oxford). 2010;2010:bap024. doi: 10.1093/database/bap024. Epub 2010 Jan 8. [PubMed:20428313 ]