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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2009-04-06 16:21:15 UTC
Update Date2021-09-14 15:45:34 UTC
HMDB IDHMDB0012221
Secondary Accession Numbers
  • HMDB12221
Metabolite Identification
Common NameDopaxanthin
DescriptionDopaxanthin belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Dopaxanthin is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Dopaxanthin.
Structure
Data?1582753029
Synonyms
ValueSource
3-Dihydropyridine-2,6-dicarboxylic acidHMDB
(2S)-4-[(2Z)-2-{[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylateHMDB
Chemical FormulaC18H18N2O8
Average Molecular Weight390.3441
Monoisotopic Molecular Weight390.106315562
IUPAC Name(2S,4E)-4-[(2Z)-2-{[(1S)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid
Traditional Namedopaxanthin
CAS Registry Number71199-31-0
SMILES
OC(=O)[C@H](CC1=CC=C(O)C(O)=C1)\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C18H18N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,20-22H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b10-3-,19-4-/t11-,13-/m0/s1
InChI KeyYSNPSKZBOQYUHH-AFUNOPLTSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentTyrosine and derivatives
Alternative Parents
Substituents
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • 3-phenylpropanoic-acid
  • Alpha-amino acid
  • Amphetamine or derivatives
  • L-alpha-amino acid
  • Tricarboxylic acid or derivatives
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Tetrahydropyridine
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Hydropyridine
  • Shiff base
  • Amino acid
  • Aldimine
  • Carboxylic acid
  • Secondary aliphatic amine
  • Enamine
  • Azacycle
  • Organoheterocyclic compound
  • Secondary amine
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Organic oxygen compound
  • Amine
  • Hydrocarbon derivative
  • Imine
  • Organonitrogen compound
  • Organooxygen compound
  • Organopnictogen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxide
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
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 Solubility0.11 g/LALOGPS
logP1.99ALOGPS
logP-0.48ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)1.49ChemAxon
pKa (Strongest Basic)8.22ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area176.75 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity96.89 m³·mol⁻¹ChemAxon
Polarizability37.67 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+183.39330932474
DeepCCS[M-H]-180.99730932474
DeepCCS[M-2H]-213.91530932474
DeepCCS[M+Na]+189.50730932474
AllCCS[M+H]+188.932859911
AllCCS[M+H-H2O]+186.332859911
AllCCS[M+NH4]+191.332859911
AllCCS[M+Na]+192.032859911
AllCCS[M-H]-185.632859911
AllCCS[M+Na-2H]-185.732859911
AllCCS[M+HCOO]-186.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
DopaxanthinOC(=O)[C@H](CC1=CC=C(O)C(O)=C1)\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O5623.5Standard polar33892256
DopaxanthinOC(=O)[C@H](CC1=CC=C(O)C(O)=C1)\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O2482.6Standard non polar33892256
DopaxanthinOC(=O)[C@H](CC1=CC=C(O)C(O)=C1)\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O4068.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Dopaxanthin,1TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C13739.0Semi standard non polar33892256
Dopaxanthin,1TMS,isomer #2C[Si](C)(C)OC1=CC=C(C[C@H](/N=C\C=C2\C=C(C(=O)O)N[C@H](C(=O)O)C2)C(=O)O)C=C1O3750.7Semi standard non polar33892256
Dopaxanthin,1TMS,isomer #3C[Si](C)(C)OC1=CC(C[C@H](/N=C\C=C2\C=C(C(=O)O)N[C@H](C(=O)O)C2)C(=O)O)=CC=C1O3747.5Semi standard non polar33892256
Dopaxanthin,1TMS,isomer #4C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C[C@@H](C(=O)O)N13739.3Semi standard non polar33892256
Dopaxanthin,1TMS,isomer #5C[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C=C(C(=O)O)N13722.8Semi standard non polar33892256
Dopaxanthin,1TMS,isomer #6C[Si](C)(C)N1C(C(=O)O)=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C[C@H]1C(=O)O3699.9Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C13604.6Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #10C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O)N13588.3Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #11C[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C(C(=O)O)N13596.4Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #12C[Si](C)(C)OC1=CC(C[C@H](/N=C\C=C2\C=C(C(=O)O)N([Si](C)(C)C)[C@H](C(=O)O)C2)C(=O)O)=CC=C1O3622.3Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #13C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C)N13586.4Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #14C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C[C@@H](C(=O)O)N1[Si](C)(C)C3570.1Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #15C[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C=C(C(=O)O)N1[Si](C)(C)C3586.3Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C13603.0Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #3C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O)N13594.3Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O[Si](C)(C)C)C13575.8Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)[C@H](C(=O)O)C13581.6Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #6C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C[C@@H](C(=O)O)N13585.1Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C=C(C(=O)O)N13596.0Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #8C[Si](C)(C)OC1=CC=C(C[C@H](/N=C\C=C2\C=C(C(=O)O)N[C@H](C(=O)O)C2)C(=O)O)C=C1O[Si](C)(C)C3697.5Semi standard non polar33892256
Dopaxanthin,2TMS,isomer #9C[Si](C)(C)OC1=CC=C(C[C@H](/N=C\C=C2\C=C(C(=O)O)N([Si](C)(C)C)[C@H](C(=O)O)C2)C(=O)O)C=C1O3627.2Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C13601.5Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #10C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)[C@H](C(=O)O[Si](C)(C)C)C13457.7Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #11C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O)N13585.7Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #12C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C)N13495.7Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #13C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C[C@@H](C(=O)O)N1[Si](C)(C)C3499.4Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #14C[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C(C(=O)O)N13594.7Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #15C[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C=C(C(=O)O)N1[Si](C)(C)C3531.1Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #16C[Si](C)(C)OC1=CC=C(C[C@H](/N=C\C=C2\C=C(C(=O)O)N([Si](C)(C)C)[C@H](C(=O)O)C2)C(=O)O)C=C1O[Si](C)(C)C3592.4Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #17C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C)N13499.8Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #18C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O)N1[Si](C)(C)C3490.8Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #19C[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C=C(C(=O)O)N1[Si](C)(C)C3528.4Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #2C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O)N13494.7Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #20C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C3465.1Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O[Si](C)(C)C)C13501.0Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)[C@H](C(=O)O)C13507.0Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #5C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O)N13502.6Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O[Si](C)(C)C)C13504.4Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)[C@H](C(=O)O)C13503.1Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #8C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N13476.3Semi standard non polar33892256
Dopaxanthin,3TMS,isomer #9C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O)N1[Si](C)(C)C3441.6Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #1C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O)N13532.3Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #10C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C3392.4Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #11C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C)N13526.9Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #12C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O)N1[Si](C)(C)C3520.8Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #13C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C3455.6Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #14C[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C(C(=O)O)N1[Si](C)(C)C3543.4Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #15C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C3452.5Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O[Si](C)(C)C)C13528.4Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)[C@H](C(=O)O)C13531.5Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #4C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N13450.8Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #5C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O)N1[Si](C)(C)C3445.2Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)[C@H](C(=O)O[Si](C)(C)C)C13465.8Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #7C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N13453.4Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #8C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O)N1[Si](C)(C)C3437.8Semi standard non polar33892256
Dopaxanthin,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O[Si](C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)[C@H](C(=O)O[Si](C)(C)C)C13462.7Semi standard non polar33892256
Dopaxanthin,5TMS,isomer #1C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N13498.0Semi standard non polar33892256
Dopaxanthin,5TMS,isomer #2C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O)N1[Si](C)(C)C3482.3Semi standard non polar33892256
Dopaxanthin,5TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)[C@H](C(=O)O[Si](C)(C)C)C13510.6Semi standard non polar33892256
Dopaxanthin,5TMS,isomer #4C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C3429.6Semi standard non polar33892256
Dopaxanthin,5TMS,isomer #5C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C3425.4Semi standard non polar33892256
Dopaxanthin,5TMS,isomer #6C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C3500.6Semi standard non polar33892256
Dopaxanthin,6TMS,isomer #1C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C3486.1Semi standard non polar33892256
Dopaxanthin,6TMS,isomer #1C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C2932.0Standard non polar33892256
Dopaxanthin,6TMS,isomer #1C[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O[Si](C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C)N1[Si](C)(C)C3891.7Standard polar33892256
Dopaxanthin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C13982.6Semi standard non polar33892256
Dopaxanthin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](/N=C\C=C2\C=C(C(=O)O)N[C@H](C(=O)O)C2)C(=O)O)C=C1O3983.4Semi standard non polar33892256
Dopaxanthin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(C[C@H](/N=C\C=C2\C=C(C(=O)O)N[C@H](C(=O)O)C2)C(=O)O)=CC=C1O3983.1Semi standard non polar33892256
Dopaxanthin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C[C@@H](C(=O)O)N13977.4Semi standard non polar33892256
Dopaxanthin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C=C(C(=O)O)N13968.7Semi standard non polar33892256
Dopaxanthin,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C(C(=O)O)=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C[C@H]1C(=O)O3938.3Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C14065.9Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O)N14043.1Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C(C(=O)O)N14048.9Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(C[C@H](/N=C\C=C2\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)[C@H](C(=O)O)C2)C(=O)O)=CC=C1O4064.0Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N14025.5Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C[C@@H](C(=O)O)N1[Si](C)(C)C(C)(C)C4019.0Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C4032.6Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C14058.8Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O)N14057.4Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C14038.9Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)[C@H](C(=O)O)C14025.0Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C[C@@H](C(=O)O)N14047.2Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C=C(C(=O)O)N14055.3Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](/N=C\C=C2\C=C(C(=O)O)N[C@H](C(=O)O)C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C4105.2Semi standard non polar33892256
Dopaxanthin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](/N=C\C=C2\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)[C@H](C(=O)O)C2)C(=O)O)C=C1O4075.9Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O)C14216.2Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C14152.4Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O)N14194.4Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N14160.0Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C[C@@H](C(=O)O)N1[Si](C)(C)C(C)(C)C4204.1Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C(C(=O)O)N14208.6Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C4231.6Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](/N=C\C=C2\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)[C@H](C(=O)O)C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C4240.4Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N14143.7Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O)N1[Si](C)(C)C(C)(C)C4189.8Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C4212.4Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O)N14175.1Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4151.8Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C14173.5Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)[C@H](C(=O)O)C14212.6Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O)N14154.4Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C14157.6Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)[C@H](C(=O)O)C14197.6Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N14103.5Semi standard non polar33892256
Dopaxanthin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O)N1[Si](C)(C)C(C)(C)C4139.0Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O)N14301.2Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4233.1Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N14296.1Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O)N1[Si](C)(C)C(C)(C)C4365.9Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4342.2Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C/C(=C\C=N/[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C4388.5Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4316.8Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C14311.6Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)[C@H](C(=O)O)C14377.2Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N14287.9Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O)N1[Si](C)(C)C(C)(C)C4326.8Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C14347.3Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N14243.6Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O[Si](C)(C)C(C)(C)C)C[C@@H](C(=O)O)N1[Si](C)(C)C(C)(C)C4297.2Semi standard non polar33892256
Dopaxanthin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)/N=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C14321.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Dopaxanthin GC-MS (Non-derivatized) - 70eV, Positivesplash10-006y-3938000000-cbfd0abf50c3dda714d82017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dopaxanthin GC-MS (4 TMS) - 70eV, Positivesplash10-03di-5311159000-28769d1d4b39ce6245562017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dopaxanthin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dopaxanthin 10V, Positive-QTOFsplash10-006y-0309000000-2af863d4e31709a785212016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dopaxanthin 20V, Positive-QTOFsplash10-0f6w-0924000000-1a6df75fb20aae50eaec2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dopaxanthin 40V, Positive-QTOFsplash10-00di-2910000000-d0790f13ba357b0d09472016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dopaxanthin 10V, Negative-QTOFsplash10-000j-0119000000-f34bcb424ce2c3315bc92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dopaxanthin 20V, Negative-QTOFsplash10-000b-0569000000-1b557ba6c2b57e0a38362016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dopaxanthin 40V, Negative-QTOFsplash10-0g4m-4910000000-db59f4cc3fcf338e1cf62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dopaxanthin 10V, Negative-QTOFsplash10-000b-0019000000-b2d1f35092d1ab7037c22021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dopaxanthin 20V, Negative-QTOFsplash10-00ds-0539000000-5d90b8353130ed1a371f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dopaxanthin 40V, Negative-QTOFsplash10-05fs-4795000000-50e32bd69d26a8202ce42021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dopaxanthin 10V, Positive-QTOFsplash10-0006-0009000000-e5691145e9f83088327d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dopaxanthin 20V, Positive-QTOFsplash10-0002-0149000000-b6926d8ea86c156a01132021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dopaxanthin 40V, Positive-QTOFsplash10-0jba-0930000000-a822804504b9aebd217d2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNot Available details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028865
KNApSAcK IDC00001587
Chemspider ID30776604
KEGG Compound IDC08543
BioCyc IDCPD-8671
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID4700
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 ReferencesNot Available