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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:29:05 UTC
Update Date2021-09-14 15:20:01 UTC
HMDB IDHMDB0029236
Secondary Accession Numbers
  • HMDB29236
Metabolite Identification
Common NameCyanidin 3-(6''-acetyl-galactoside)
DescriptionCyanidin 3-(6''-acetyl-galactoside) 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-(6''-acetyl-galactoside) is found, on average, in the highest concentration within lowbush blueberries (Vaccinium angustifolium) and highbush blueberries (Vaccinium corymbosum). This could make cyanidin 3-(6''-acetyl-galactoside) a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Cyanidin 3-(6''-acetyl-galactoside).
Structure
Data?1582753391
Synonyms
ValueSource
Cyanidin 3-(6-acetylgalactoside)HMDB
Cyanidin 3-O-(6''-acetyl-galactoside)HMDB
Chemical FormulaC23H23O12
Average Molecular Weight491.4215
Monoisotopic Molecular Weight491.1189512
IUPAC Name3-{[(2S,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium
Traditional Name3-{[(2S,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium
CAS Registry Number350602-26-5
SMILES
[H][C@]1(COC(C)=O)O[C@@]([H])(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
InChI Identifier
InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19+,20+,21-,23-/m1/s1
InChI KeyHBXXDBKJLPLXPR-DLBZZEGUSA-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
  • 3'-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Anthocyanidin
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Monosaccharide
  • Oxane
  • Heteroaromatic compound
  • Secondary alcohol
  • Carboxylic acid ester
  • Polyol
  • Monocarboxylic acid or derivatives
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic oxygen compound
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.39 g/LALOGPS
logP1.14ALOGPS
logP0.82ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)6.39ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area199.51 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity125.41 m³·mol⁻¹ChemAxon
Polarizability47.4 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Spectral Properties

Collision Cross Sections

NameAdductTypeData SourceValueReference
DarkChem[M+H]+PredictedNot Available212.92431661259
DarkChem[M-H]-PredictedNot Available203.53931661259

Retention Indices

Underivatized

Not Available

Derivatized

DerivativeValueReference
Cyanidin 3-(6''-acetyl-galactoside),1TMS,#14282.357https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),1TMS,#24254.1523https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),1TMS,#34245.672https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),1TMS,#44244.889https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),1TMS,#54300.798https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),1TMS,#64287.8237https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),1TMS,#74290.711https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#14106.8https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#24090.227https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#34098.1123https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#44179.2085https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#54157.3574https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#64175.1035https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#74094.6753https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#84098.154https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#94174.5977https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#104157.0527https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#114170.8013https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#124144.416https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#134159.5273https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#144136.46https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#154155.061https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#164153.2812https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#174131.8335https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#184149.4033https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#194221.8926https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#204252.75https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TMS,#214226.521https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#14033.4404https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#24040.0264https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#34047.867https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#44014.985https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#54051.0212https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#64039.074https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#74016.1768https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#83988.5044https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#94024.2983https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#104017.376https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#113990.636https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#124027.0247https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#134110.2554https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#144145.2256https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#154115.979https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#164016.8555https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#174002.281https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#183974.827https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#194010.8574https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#204004.6582https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#213976.0781https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#224012.6587https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#234102.0537https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#244143.1216https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#254106.4683https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#264092.0425https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#274058.7244https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#284094.1162https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#294072.5686https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#304103.7876https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#314075.5562https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#324069.5896https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#334104.649https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#344072.5693https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TMS,#354211.106https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#14016.2896https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#24003.9658https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#33989.3074https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#44007.643https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#54009.8896https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#63991.1099https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#74010.9143https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#83998.2866https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#94019.8713https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#104010.5508https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#114024.2495https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#123998.314https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#134032.353https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#143990.1172https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#154010.109https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#164000.4385https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#173991.1418https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#184009.423https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#194001.9512https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#204128.6636https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#214001.4453https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#223977.1626https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#234012.1113https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#243969.766https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#253990.817https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#263977.7969https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#273971.031https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#283988.8252https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#293979.064https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#304113.22https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#314050.4363https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#324068.444https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#334055.9385https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#344075.3533https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),4TMS,#354074.7876https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#14016.585https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#24005.52https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#34025.7354https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#43991.8354https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#53996.9956https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#64008.9731https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#73998.4824https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#84003.4993https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#94016.5627https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#104015.339https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#114019.7896https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#124028.9338https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#134032.207https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#144025.3787https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#154023.7021https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#164001.627https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#174010.2893https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#184011.7224https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#194005.3672https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#204006.9526https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),5TMS,#214079.1082https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),1TBDMS,#14541.736https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),1TBDMS,#24523.962https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),1TBDMS,#34523.155https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),1TBDMS,#44530.5767https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),1TBDMS,#54566.047https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),1TBDMS,#64550.508https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),1TBDMS,#74554.4907https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#14605.127https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#24616.337https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#34610.04https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#44646.3145https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#54616.76https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#64636.6587https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#74592.3315https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#84583.896https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#94630.1787https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#104601.347https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#114620.3047https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#124613.742https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#134612.3257https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#144581.8203https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#154603.383https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#164619.1216https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#174587.1504https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#184609.134https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#194659.386https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#204691.6963https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),2TBDMS,#214664.8438https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#14797.331https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#24787.0747https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#34694.68https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#44670.377https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#54692.4844https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#64730.6104https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#74724.2935https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#84699.8257https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#94724.052https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#104714.941https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#114686.834https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#124712.543https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#134702.4653https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#144736.377https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#154711.266https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#164696.8906https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#174693.013https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#184668.9453https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#194693.7363https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#204683.9194https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#214656.3813https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#224679.9385https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#234675.715https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#244712.542https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#254682.599https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#264692.985https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#274664.1094https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#284685.1533https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#294657.4624https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#304687.0425https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#314665.9365https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#324666.5576https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#334698.71https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#344674.6255https://arxiv.org/abs/1905.12712
Cyanidin 3-(6''-acetyl-galactoside),3TBDMS,#354794.573https://arxiv.org/abs/1905.12712
Spectra

GC-MS

Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-05gi-8422900000-95b9c12d87ec45bd778a2017-09-01View Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positivesplash10-014i-8610059000-81a01ac82ea8ba0c2fca2017-10-06View Spectrum

LC-MS/MS

Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-1000900000-d556081f038cf5759cde2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-1010900000-f38079523907ed2b6bd42016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-08g3-9530000000-341328f5279e482fee4c2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4l-9210700000-23f63bb28c350ec815a12016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-9000100000-1590eb0e9669cce19a4b2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-9100000000-a1bb83be2ccdae7a8dc02016-08-03View 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 ID6
FooDB IDFDB000004
KNApSAcK IDNot Available
Chemspider ID30776739
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound122396785
PDB IDNot Available
ChEBI ID168391
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available