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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:17:25 UTC
Update Date2022-03-07 02:55:36 UTC
HMDB IDHMDB0038012
Secondary Accession Numbers
  • HMDB38012
Metabolite Identification
Common NameMalvidin 3-(6-coumaroylglucoside)
DescriptionMalvidin 3-(6-coumaroylglucoside) 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. Malvidin 3-(6-coumaroylglucoside) is found, on average, in the highest concentration within a few different foods, such as common grapes (Vitis vinifera), summer grapes (Vitis aestivalis), and grape wine. Malvidin 3-(6-coumaroylglucoside) has also been detected, but not quantified in, several different foods, such as alcoholic beverages, fruits, highbush blueberries (Vaccinium corymbosum), and rubus (blackberry, raspberry). This could make malvidin 3-(6-coumaroylglucoside) a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Malvidin 3-(6-coumaroylglucoside).
Structure
Data?1563863126
SynonymsNot Available
Chemical FormulaC32H31O14
Average Molecular Weight639.5801
Monoisotopic Molecular Weight639.1713807
IUPAC Name5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
Traditional Name5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
CAS Registry Number34693-53-3
SMILES
COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)C(O)=CC(O)=C2
InChI Identifier
InChI=1S/C32H30O14/c1-41-22-9-16(10-23(42-2)27(22)37)31-24(13-19-20(35)11-18(34)12-21(19)44-31)45-32-30(40)29(39)28(38)25(46-32)14-43-26(36)8-5-15-3-6-17(33)7-4-15/h3-13,25,28-30,32,38-40H,14H2,1-2H3,(H3-,33,34,35,36,37)/p+1
InChI KeyHXQOVGDXCHFLOP-UHFFFAOYSA-O
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
  • Hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Coumaric acid or derivatives
  • Coumaric acid
  • Cinnamic acid or derivatives
  • Cinnamic acid
  • Hydroxycinnamic acid
  • Hydroxycinnamic acid or derivatives
  • Glycosyl compound
  • O-glycosyl compound
  • Methoxyphenol
  • Benzopyran
  • Dimethoxybenzene
  • M-dimethoxybenzene
  • 1-benzopyran
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Styrene
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Benzenoid
  • Oxane
  • Monosaccharide
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Acetal
  • Polyol
  • Oxacycle
  • Organoheterocyclic compound
  • Carboximidic acid
  • Carboxylic acid derivative
  • Ether
  • Organic oxygen compound
  • Alcohol
  • Carbonyl group
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic cation
  • 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 Solubility0.03 g/LALOGPS
logP3.41ALOGPS
logP3.58ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)6.38ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area217.97 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity168.75 m³·mol⁻¹ChemAxon
Polarizability63.34 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]+237.69430932474
DeepCCS[M-H]-235.86930932474
DeepCCS[M-2H]-269.1130932474
DeepCCS[M+Na]+243.330932474
AllCCS[M+H]+244.032859911
AllCCS[M+H-H2O]+242.932859911
AllCCS[M+NH4]+245.032859911
AllCCS[M+Na]+245.332859911
AllCCS[M-H]-238.032859911
AllCCS[M+Na-2H]-240.332859911
AllCCS[M+HCOO]-243.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Malvidin 3-(6-coumaroylglucoside)COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)C(O)=CC(O)=C28742.8Standard polar33892256
Malvidin 3-(6-coumaroylglucoside)COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)C(O)=CC(O)=C25522.2Standard non polar33892256
Malvidin 3-(6-coumaroylglucoside)COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C1O)C(O)=CC(O)=C26146.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Malvidin 3-(6-coumaroylglucoside),1TMS,isomer #1COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5892.3Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),1TMS,isomer #2COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O)C2O)=CC(OC)=C1O6012.4Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),1TMS,isomer #3COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5958.8Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),1TMS,isomer #4COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5945.5Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),1TMS,isomer #5COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5966.8Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),1TMS,isomer #6COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O5953.7Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),1TMS,isomer #7COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O5980.9Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #1COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5690.9Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #10COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5684.3Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #11COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5748.7Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #12COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5688.6Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #13COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5666.9Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #14COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5729.1Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #15COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5784.2Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #16COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5656.2Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #17COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5635.1Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #18COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O5744.0Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #19COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5710.3Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #2COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5668.5Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #20COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5689.7Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #21COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O5672.3Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #3COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5750.6Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #4COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5709.6Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #5COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C5696.9Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #6COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5729.6Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #7COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O)C2O)=CC(OC)=C1O5739.5Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #8COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O)C2O)=CC(OC)=C1O5722.9Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TMS,isomer #9COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5728.0Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #1COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5437.3Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #10COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5540.9Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #11COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C5503.7Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #12COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5565.9Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #13COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C5563.7Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #14COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5607.5Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #15COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5568.2Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #16COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O)C2O)=CC(OC)=C1O5461.8Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #17COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5500.0Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #18COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5454.8Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #19COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5516.5Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #2COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5509.0Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #20COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5475.3Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #21COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5433.7Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #22COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5493.6Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #23COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5531.7Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #24COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5578.7Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #25COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O5539.4Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #26COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5443.2Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #27COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5494.6Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #28COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5543.2Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #29COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5475.0Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #3COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5495.5Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #30COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5522.2Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #31COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O5635.9Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #32COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5396.3Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #33COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O5505.4Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #34COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O5485.2Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #35COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5461.9Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #4COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C5455.4Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #5COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5512.8Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #6COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5480.5Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #7COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5468.4Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #8COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C5428.9Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),3TMS,isomer #9COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5485.1Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),1TBDMS,isomer #1COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C6169.8Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),1TBDMS,isomer #2COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(O)C(O)C2O)=CC(OC)=C1O6268.5Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),1TBDMS,isomer #3COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(OC)=C1O6237.6Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),1TBDMS,isomer #4COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O6224.6Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),1TBDMS,isomer #5COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O6251.7Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),1TBDMS,isomer #6COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O6203.9Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),1TBDMS,isomer #7COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O6232.1Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #1COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C6227.6Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #10COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O6251.3Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #11COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O6297.2Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #12COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(OC)=C1O6254.7Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #13COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(OC)=C1O6218.0Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #14COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O6266.7Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #15COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O6310.4Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #16COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O6224.2Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #17COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O6193.0Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #18COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O6290.8Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #19COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O6279.3Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #2COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C6189.2Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #20COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O6242.8Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #21COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC(OC)=C1O6223.7Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #3COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C6271.0Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #4COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C6217.4Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #5COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C6210.5Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #6COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C6245.2Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #7COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(O)C(O)C2O)=CC(OC)=C1O6295.2Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #8COC1=CC(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(O)C(O)C2O)=CC(OC)=C1O6264.9Semi standard non polar33892256
Malvidin 3-(6-coumaroylglucoside),2TBDMS,isomer #9COC1=CC(C2=[O+]C3=CC(O)=CC(O)=C3C=C2OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(OC)=C1O6276.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (Non-derivatized) - 70eV, Positivesplash10-01w0-9476503000-76768fc76145105dadd92017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvidin 3-(6-coumaroylglucoside) GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvidin 3-(6-coumaroylglucoside) 10V, Positive-QTOFsplash10-0006-0000009000-1529ed333cd50bcf17412016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvidin 3-(6-coumaroylglucoside) 20V, Positive-QTOFsplash10-0005-0000009000-b13e71615c867fe01a662016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvidin 3-(6-coumaroylglucoside) 40V, Positive-QTOFsplash10-004j-1906006000-dc03ad30277d31293c792016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvidin 3-(6-coumaroylglucoside) 10V, Negative-QTOFsplash10-000i-0000009000-6bededbf765c77e8b5b12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvidin 3-(6-coumaroylglucoside) 20V, Negative-QTOFsplash10-000i-1000009000-a5266829db42ad504af02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvidin 3-(6-coumaroylglucoside) 40V, Negative-QTOFsplash10-056r-9803012000-6f0c68fe01165f68beb02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvidin 3-(6-coumaroylglucoside) 10V, Positive-QTOFsplash10-008j-0706209000-50b4d0349b7768543efa2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvidin 3-(6-coumaroylglucoside) 20V, Positive-QTOFsplash10-001i-0219203000-dfef3423af25651076af2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvidin 3-(6-coumaroylglucoside) 40V, Positive-QTOFsplash10-014i-2914101000-c695f3ad838df28cdd6d2021-09-23Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
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 ID3
FooDB IDFDB017217
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound74977117
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.. .