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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:29:24 UTC
Update Date2021-09-16 15:43:21 UTC
HMDB IDHMDB0029280
Secondary Accession Numbers
  • HMDB29280
Metabolite Identification
Common NameDicaffeoylquinic acid
DescriptionDicaffeoylquinic acid, also known as 3,5-dicaffeoylquinate or 3,5-dcqa, belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Dicaffeoylquinic acid is found, on average, in the highest concentration within a few different foods, such as robusta coffees (Coffea canephora), coffees (Coffea), and arabica coffees (Coffea arabica) and in a lower concentration in carrots (Daucus carota ssp. sativus) and quinces (Cydonia oblonga). Dicaffeoylquinic acid has also been detected, but not quantified in, several different foods, such as eggplants (Solanum melongena), fruits, green vegetables, lettuces (Lactuca sativa), and coffee and coffee products. This could make dicaffeoylquinic acid a potential biomarker for the consumption of these foods. Dicaffeoylquinic acid is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a small amount of articles have been published on Dicaffeoylquinic acid.
Structure
Data?1582753396
Synonyms
ValueSource
(1S,3R,4S,5R)-1,3,4,5-Tetrahydroxy-1-carboxycyclohexane3,5-di-3-(3,4-dihydroxyphenyl)propenoateChEBI
3,5-DCQAChEBI
3,5-Dicaffeoylquinic acidChEBI
Isochlorogenic acid aChEBI
Quinic acid 3,5-di-O-caffeateChEBI
(1S,3R,4S,5R)-1,3,4,5-Tetrahydroxy-1-carboxycyclohexane3,5-di-3-(3,4-dihydroxyphenyl)propenoic acidGenerator
3,5-DicaffeoylquinateGenerator
Isochlorogenate aGenerator
Quinate 3,5-di-O-caffeateGenerator
Quinic acid 3,5-di-O-caffeic acidGenerator
DicaffeoylquinateGenerator
3,5-Di-O-caffeoyl quinateGenerator
3,5-Di-O-caffeoylquinateGenerator
Chemical FormulaC25H24O12
Average Molecular Weight516.4509
Monoisotopic Molecular Weight516.126776232
IUPAC Name(1S,3R,4S,5R)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid
Traditional Name(1S,3R,4S,5R)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid
CAS Registry NumberNot Available
SMILES
O[C@H]1[C@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)C[C@@](O)(C[C@H]1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(=O)O
InChI Identifier
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
InChI KeyKRZBCHWVBQOTNZ-PSEXTPKNSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, And 5, as well as a carboxylic acid at position 1.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassAlcohols and polyols
Direct ParentQuinic acids and derivatives
Alternative Parents
Substituents
  • Quinic acid
  • Cinnamic acid or derivatives
  • Coumaric acid or derivatives
  • Hydroxycinnamic acid or derivatives
  • Cinnamic acid ester
  • Tricarboxylic acid or derivatives
  • Catechol
  • Styrene
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Cyclohexanol
  • Fatty acid ester
  • Phenol
  • Fatty acyl
  • Hydroxy acid
  • Monocyclic benzene moiety
  • Alpha-hydroxy acid
  • Benzenoid
  • Tertiary alcohol
  • Alpha,beta-unsaturated carboxylic ester
  • Enoate ester
  • Carboxylic acid ester
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location:

Source:

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 Solubility0.12 g/LALOGPS
logP2.05ALOGPS
logP2.16ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)3.28ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area211.28 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity126.76 m³·mol⁻¹ChemAxon
Polarizability49.46 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Spectral Properties

Collision Cross Sections

NameAdductTypeData SourceValueReference

Retention Indices

Underivatized

Not Available

Derivatized

DerivativeValueReference
Dicaffeoylquinic acid,1TMS,#14874.3735https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TMS,#24799.951https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TMS,#34795.802https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TMS,#44870.6885https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TMS,#54799.951https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TMS,#64795.802https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TMS,#74794.7397https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#14702.7026https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#24708.702https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#34794.1313https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#44670.052https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#54702.7026https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#64708.702https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#74708.147https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#84589.4834https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#94645.028https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#104652.824https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#114754.6904https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#124718.4004https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#134606.078https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#144652.824https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#154655.63https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#164731.8604https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#174708.147https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#184718.4004https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#194589.4834https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#204754.6904https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#214606.078https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#14610.6924https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#24474.0557https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#34547.5605https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#44556.8022https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#54665.033https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#64620.4087https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#74485.3784https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#84556.8022https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#94562.0376https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#104626.418https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#114610.6924https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#124620.4087https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#134474.0557https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#144485.3784https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#154665.033https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#164519.8477https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#174537.353https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#184555.7686https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#194650.9487https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#204452.833https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#214471.1763https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#224529.355https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#234587.653https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#244587.653https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#254597.9717https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#264532.601https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#274555.7686https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#284567.8936https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#294471.1763https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#304483.4683https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#314597.9717https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#324519.8477https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#334532.601https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#344650.9487https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#354529.355https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#14450.04https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#24502.0376https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#34510.8564https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#44589.756https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#54390.689https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#64398.193https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#74453.465https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#84528.5854https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#94528.5854https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#104531.78https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#114451.1626https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#124510.8564https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#134517.239https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#144398.193https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#154401.845https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#164531.78https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#174450.04https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#184451.1626https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#194589.756https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#204453.465https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#214406.148https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#224416.959https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#234485.987https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#244526.0435https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#254526.0435https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#264531.602https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#274430.076https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#284430.076https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#294437.799https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#304563.201https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#314416.959https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#324426.652https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#334531.602https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#344437.799https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#354485.987https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#14390.6406https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#24393.6973https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#34449.677https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#44504.6963https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#54504.6963https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#64505.033https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#74395.6826https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#84395.6826https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#94396.253https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#104526.3813https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#114393.6973https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#124395.715https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#134505.033https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#144396.253https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#154449.677https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#164409.8706https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#174409.8706https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#184415.362https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#194527.574https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#204432.3994https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#214415.362https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#15093.901https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#25042.088https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#35040.9517https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#45094.149https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#55042.088https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#65040.9517https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#75062.9004https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#15148.3125https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#25154.9087https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#35226.8506https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#45159.684https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#55148.3125https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#65154.9087https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#75142.3804https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#85109.2686https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#95150.218https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#105157.7227https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#115187.083https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#125153.715https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#135118.4863https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#145157.7227https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#155161.362https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#165210.617https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#175142.3804https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#185153.715https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#195109.2686https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#205187.083https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#215118.4863https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#15247.544https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#25167.8228https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#35277.7173https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#45280.677https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#55271.2554https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#65253.5356https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#75172.878https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#85280.677https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#95287.048https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#105275.285https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#115247.544https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#125253.5356https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#135167.8228https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#145172.878https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#155271.2554https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#165223.2793https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#175269.2https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#185268.77https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#195273.555https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#205220.5303https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#215225.83https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#225211.8184https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#235294.6255https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#245294.6255https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#255299.032https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#265228.5625https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#275268.77https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#285271.045https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#295225.83https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#305233.949https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#315299.032https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#325223.2793https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#335228.5625https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#345273.555https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#355211.8184https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TMS,#14874.3735https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TMS,#24799.951https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TMS,#34795.802https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TMS,#44870.6885https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TMS,#54799.951https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TMS,#64795.802https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TMS,#74794.7397https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#14702.7026https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#24708.702https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#34794.1313https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#44670.052https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#54702.7026https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#64708.702https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#74708.147https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#84589.4834https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#94645.028https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#104652.824https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#114754.6904https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#124718.4004https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#134606.078https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#144652.824https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#154655.63https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#164731.8604https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#174708.147https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#184718.4004https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#194589.4834https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#204754.6904https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TMS,#214606.078https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#14610.6924https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#24474.0557https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#34547.5605https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#44556.8022https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#54665.033https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#64620.4087https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#74485.3784https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#84556.8022https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#94562.0376https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#104626.418https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#114610.6924https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#124620.4087https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#134474.0557https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#144485.3784https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#154665.033https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#164519.8477https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#174537.353https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#184555.7686https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#194650.9487https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#204452.833https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#214471.1763https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#224529.355https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#234587.653https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#244587.653https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#254597.9717https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#264532.601https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#274555.7686https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#284567.8936https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#294471.1763https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#304483.4683https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#314597.9717https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#324519.8477https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#334532.601https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#344650.9487https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TMS,#354529.355https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#14450.04https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#24502.0376https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#34510.8564https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#44589.756https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#54390.689https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#64398.193https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#74453.465https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#84528.5854https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#94528.5854https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#104531.78https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#114451.1626https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#124510.8564https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#134517.239https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#144398.193https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#154401.845https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#164531.78https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#174450.04https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#184451.1626https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#194589.756https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#204453.465https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#214406.148https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#224416.959https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#234485.987https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#244526.0435https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#254526.0435https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#264531.602https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#274430.076https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#284430.076https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#294437.799https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#304563.201https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#314416.959https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#324426.652https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#334531.602https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#344437.799https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,4TMS,#354485.987https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#14390.6406https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#24393.6973https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#34449.677https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#44504.6963https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#54504.6963https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#64505.033https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#74395.6826https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#84395.6826https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#94396.253https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#104526.3813https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#114393.6973https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#124395.715https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#134505.033https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#144396.253https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#154449.677https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#164409.8706https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#174409.8706https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#184415.362https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#194527.574https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#204432.3994https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,5TMS,#214415.362https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#15093.901https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#25042.088https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#35040.9517https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#45094.149https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#55042.088https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#65040.9517https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,1TBDMS,#75062.9004https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#15148.3125https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#25154.9087https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#35226.8506https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#45159.684https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#55148.3125https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#65154.9087https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#75142.3804https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#85109.2686https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#95150.218https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#105157.7227https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#115187.083https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#125153.715https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#135118.4863https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#145157.7227https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#155161.362https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#165210.617https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#175142.3804https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#185153.715https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#195109.2686https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#205187.083https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,2TBDMS,#215118.4863https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#15247.544https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#25167.8228https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#35277.7173https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#45280.677https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#55271.2554https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#65253.5356https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#75172.878https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#85280.677https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#95287.048https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#105275.285https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#115247.544https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#125253.5356https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#135167.8228https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#145172.878https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#155271.2554https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#165223.2793https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#175269.2https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#185268.77https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#195273.555https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#205220.5303https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#215225.83https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#225211.8184https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#235294.6255https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#245294.6255https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#255299.032https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#265228.5625https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#275268.77https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#285271.045https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#295225.83https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#305233.949https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#315299.032https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#325223.2793https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#335228.5625https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#345273.555https://arxiv.org/abs/1905.12712
Dicaffeoylquinic acid,3TBDMS,#355211.8184https://arxiv.org/abs/1905.12712
Spectra

GC-MS

Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0079-2553900000-e7b3dfed829c7f0f59842017-09-01View Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positivesplash10-01pa-6971405000-e34d11dad7937c86be682017-10-06View Spectrum

LC-MS/MS

Spectrum TypeDescriptionSplash KeyDeposition DateView
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-qTof , Positivesplash10-03di-0900000000-7b6d7228827b3f8dd2ff2017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-qTof , Negativesplash10-0udi-0609000000-42a893b713ad121e3e8b2017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 10V, Negativesplash10-0udi-0009020000-31bd688d2c5399796f9c2021-09-20View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 40V, Positivesplash10-03ka-0911000000-27cb4fa024871bfce9082021-09-20View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 10V, Positivesplash10-03di-0924500000-ac2ac456c7dc8697f9572021-09-20View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 20V, Positivesplash10-03di-0932200000-1c9dcf9eb606f0694d7d2021-09-20View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 40V, Negativesplash10-002f-0900000000-c0ca9a8111cc2b23dd942021-09-20View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 20V, Negativesplash10-0udl-0908000000-093fbdfe6822eb9196fd2021-09-20View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0300-0725960000-8403e31a37aca21352be2016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03dr-0905400000-6d80268458b90a9825a42016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-08ou-0911100000-b580ea311f87c93f19d12016-06-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-01b9-0504980000-756b5a404ac37e609c5a2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0kmi-0937610000-2ea45ea748b397c26f4c2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-08i9-0914000000-85006063ed7a07854afe2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0901200000-427899023ace6235dce32021-09-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0900000000-67b6b7e9e114ec01165d2021-09-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03l9-0900200000-6886c02e7e47668c23292021-09-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-0200290000-0ab1b95d9841854769902021-09-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-054o-0933000000-df5f0f13d1fda79f199a2021-09-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001r-1963300000-b4f1dbd2b27d74573e572021-09-22View Spectrum
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB002628
KNApSAcK IDC00002733
Chemspider ID22912767
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCynarine
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID65751
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB 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 ]