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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:32:39 UTC
Update Date2022-03-07 02:52:17 UTC
HMDB IDHMDB0029790
Secondary Accession Numbers
  • HMDB29790
Metabolite Identification
Common NameViniferal
DescriptionViniferal belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. Based on a literature review a small amount of articles have been published on Viniferal.
Structure
Data?1582753465
SynonymsNot Available
Chemical FormulaC35H26O8
Average Molecular Weight574.5761
Monoisotopic Molecular Weight574.162767808
IUPAC Name3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carbaldehyde
Traditional Nameviniferal
CAS Registry Number180413-42-7
SMILES
OC1=CC=C(C=C1)C1OC2=CC(O)=CC(C3C(OC4=C3C=C(C=O)C=C4)C3=CC=C(O)C=C3)=C2C1C1=CC(O)=CC(O)=C1
InChI Identifier
InChI=1S/C35H26O8/c36-17-18-1-10-29-27(11-18)32(35(42-29)20-4-8-23(38)9-5-20)28-15-26(41)16-30-33(28)31(21-12-24(39)14-25(40)13-21)34(43-30)19-2-6-22(37)7-3-19/h1-17,31-32,34-35,37-41H
InChI KeyDHTHKPNODOWMKF-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
Class2-arylbenzofuran flavonoids
Sub ClassNot Available
Direct Parent2-arylbenzofuran flavonoids
Alternative Parents
Substituents
  • 2-arylbenzofuran flavonoid
  • Neolignan skeleton
  • 1-phenylcoumaran
  • Stilbene
  • Coumaran
  • Resorcinol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • Aryl-aldehyde
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Oxacycle
  • Organoheterocyclic compound
  • Ether
  • Organic oxygen compound
  • Aldehyde
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.0091 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.0021 g/LALOGPS
logP5.48ALOGPS
logP6.5ChemAxon
logS-5.4ALOGPS
pKa (Strongest Acidic)8.58ChemAxon
pKa (Strongest Basic)-4.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area136.68 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity159.79 m³·mol⁻¹ChemAxon
Polarizability58.5 ųChemAxon
Number of Rings7ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+230.18231661259
DarkChem[M-H]-225.34631661259
DeepCCS[M+H]+237.21330932474
DeepCCS[M-H]-235.31830932474
DeepCCS[M-2H]-268.55730932474
DeepCCS[M+Na]+242.85230932474
AllCCS[M+H]+239.432859911
AllCCS[M+H-H2O]+237.832859911
AllCCS[M+NH4]+240.832859911
AllCCS[M+Na]+241.232859911
AllCCS[M-H]-215.532859911
AllCCS[M+Na-2H]-216.032859911
AllCCS[M+HCOO]-216.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
ViniferalOC1=CC=C(C=C1)C1OC2=CC(O)=CC(C3C(OC4=C3C=C(C=O)C=C4)C3=CC=C(O)C=C3)=C2C1C1=CC(O)=CC(O)=C18479.9Standard polar33892256
ViniferalOC1=CC=C(C=C1)C1OC2=CC(O)=CC(C3C(OC4=C3C=C(C=O)C=C4)C3=CC=C(O)C=C3)=C2C1C1=CC(O)=CC(O)=C14298.5Standard non polar33892256
ViniferalOC1=CC=C(C=C1)C1OC2=CC(O)=CC(C3C(OC4=C3C=C(C=O)C=C4)C3=CC=C(O)C=C3)=C2C1C1=CC(O)=CC(O)=C16041.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Viniferal,1TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)=C3C2C2=CC(O)=CC(O)=C2)C=C15693.8Semi standard non polar33892256
Viniferal,1TMS,isomer #2C[Si](C)(C)OC1=CC2=C(C(C3C4=CC(C=O)=CC=C4OC3C3=CC=C(O)C=C3)=C1)C(C1=CC(O)=CC(O)=C1)C(C1=CC=C(O)C=C1)O25717.1Semi standard non polar33892256
Viniferal,1TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O)=CC3=C2C(C2=CC(O)=CC(O)=C2)C(C2=CC=C(O)C=C2)O3)C=C15693.8Semi standard non polar33892256
Viniferal,1TMS,isomer #4C[Si](C)(C)OC1=CC(O)=CC(C2C3=C(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)C=C(O)C=C3OC2C2=CC=C(O)C=C2)=C15701.7Semi standard non polar33892256
Viniferal,2TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)=C3C2C2=CC(O)=CC(O)=C2)C=C15644.2Semi standard non polar33892256
Viniferal,2TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O)=CC3=C2C(C2=CC(O)=CC(O)=C2)C(C2=CC=C(O[Si](C)(C)C)C=C2)O3)C=C15607.4Semi standard non polar33892256
Viniferal,2TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)=C3C2C2=CC(O)=CC(O[Si](C)(C)C)=C2)C=C15618.8Semi standard non polar33892256
Viniferal,2TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O[Si](C)(C)C)=CC3=C2C(C2=CC(O)=CC(O)=C2)C(C2=CC=C(O)C=C2)O3)C=C15643.7Semi standard non polar33892256
Viniferal,2TMS,isomer #5C[Si](C)(C)OC1=CC(O)=CC(C2C3=C(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)C=C(O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)=C15666.4Semi standard non polar33892256
Viniferal,2TMS,isomer #6C[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O)=CC3=C2C(C2=CC(O)=CC(O[Si](C)(C)C)=C2)C(C2=CC=C(O)C=C2)O3)C=C15618.8Semi standard non polar33892256
Viniferal,2TMS,isomer #7C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=CC(C2C3=C(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)C=C(O)C=C3OC2C2=CC=C(O)C=C2)=C15641.0Semi standard non polar33892256
Viniferal,3TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O[Si](C)(C)C)=CC3=C2C(C2=CC(O)=CC(O)=C2)C(C2=CC=C(O[Si](C)(C)C)C=C2)O3)C=C15459.6Semi standard non polar33892256
Viniferal,3TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)=C3C2C2=CC(O)=CC(O[Si](C)(C)C)=C2)C=C15483.2Semi standard non polar33892256
Viniferal,3TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O)=CC3=C2C(C2=CC(O)=CC(O[Si](C)(C)C)=C2)C(C2=CC=C(O[Si](C)(C)C)C=C2)O3)C=C15432.0Semi standard non polar33892256
Viniferal,3TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)=C3C2C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C=C15470.5Semi standard non polar33892256
Viniferal,3TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O[Si](C)(C)C)=CC3=C2C(C2=CC(O)=CC(O[Si](C)(C)C)=C2)C(C2=CC=C(O)C=C2)O3)C=C15485.5Semi standard non polar33892256
Viniferal,3TMS,isomer #6C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=CC(C2C3=C(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)C=C(O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)=C15509.3Semi standard non polar33892256
Viniferal,3TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O)=CC3=C2C(C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(C2=CC=C(O)C=C2)O3)C=C15471.6Semi standard non polar33892256
Viniferal,4TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O[Si](C)(C)C)=CC3=C2C(C2=CC(O)=CC(O[Si](C)(C)C)=C2)C(C2=CC=C(O[Si](C)(C)C)C=C2)O3)C=C15309.3Semi standard non polar33892256
Viniferal,4TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C)=CC(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)=C3C2C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C=C15335.1Semi standard non polar33892256
Viniferal,4TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O)=CC3=C2C(C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(C2=CC=C(O[Si](C)(C)C)C=C2)O3)C=C15284.1Semi standard non polar33892256
Viniferal,4TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O[Si](C)(C)C)=CC3=C2C(C2=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C(C2=CC=C(O)C=C2)O3)C=C15334.5Semi standard non polar33892256
Viniferal,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)=C3C2C2=CC(O)=CC(O)=C2)C=C15950.3Semi standard non polar33892256
Viniferal,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC2=C(C(C3C4=CC(C=O)=CC=C4OC3C3=CC=C(O)C=C3)=C1)C(C1=CC(O)=CC(O)=C1)C(C1=CC=C(O)C=C1)O25968.9Semi standard non polar33892256
Viniferal,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O)=CC3=C2C(C2=CC(O)=CC(O)=C2)C(C2=CC=C(O)C=C2)O3)C=C15950.6Semi standard non polar33892256
Viniferal,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(C2C3=C(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)C=C(O)C=C3OC2C2=CC=C(O)C=C2)=C15951.6Semi standard non polar33892256
Viniferal,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)=C3C2C2=CC(O)=CC(O)=C2)C=C16201.8Semi standard non polar33892256
Viniferal,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O)=CC3=C2C(C2=CC(O)=CC(O)=C2)C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)O3)C=C16182.8Semi standard non polar33892256
Viniferal,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)=C3C2C2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C=C16165.8Semi standard non polar33892256
Viniferal,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O[Si](C)(C)C(C)(C)C)=CC3=C2C(C2=CC(O)=CC(O)=C2)C(C2=CC=C(O)C=C2)O3)C=C16201.8Semi standard non polar33892256
Viniferal,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(C2C3=C(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)C=C(O[Si](C)(C)C(C)(C)C)C=C3OC2C2=CC=C(O)C=C2)=C16192.4Semi standard non polar33892256
Viniferal,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC=C(C=O)C=C3C2C2=CC(O)=CC3=C2C(C2=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C(C2=CC=C(O)C=C2)O3)C=C16165.8Semi standard non polar33892256
Viniferal,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=CC(C2C3=C(C4C5=CC(C=O)=CC=C5OC4C4=CC=C(O)C=C4)C=C(O)C=C3OC2C2=CC=C(O)C=C2)=C16165.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (Non-derivatized) - 70eV, Positivesplash10-0007-0102190000-8ad07574cdc6cca1472c2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (1 TMS) - 70eV, Positivesplash10-00yi-8100139000-cc144dca67cb66cb24152017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS ("Viniferal,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_4_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_4_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_4_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TMS_4_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Viniferal GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Viniferal 10V, Positive-QTOFsplash10-004i-0000290000-b38ba8ca000becc8f1ed2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Viniferal 20V, Positive-QTOFsplash10-0002-0224590000-35a77eb60ff514f975b82016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Viniferal 40V, Positive-QTOFsplash10-0002-0209320000-65969a1d8c8f75f610082016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Viniferal 10V, Negative-QTOFsplash10-00di-0000090000-5bd7e1febf27df7980782016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Viniferal 20V, Negative-QTOFsplash10-00di-0010190000-21c56d57d2f02a87f4262016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Viniferal 40V, Negative-QTOFsplash10-052g-7350690000-598622da2348d5cb4bbb2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Viniferal 10V, Positive-QTOFsplash10-004i-0000190000-a68ee14643c86b8377702021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Viniferal 20V, Positive-QTOFsplash10-004i-0000590000-0c7f9c985ba64a208ca72021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Viniferal 40V, Positive-QTOFsplash10-052e-5406920000-8b5b29a27727bf1764a82021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Viniferal 10V, Negative-QTOFsplash10-00di-0000090000-1cc6f909102f6ddb3e372021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Viniferal 20V, Negative-QTOFsplash10-0092-0000190000-57dc8c0f578baf52ab9e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Viniferal 40V, Negative-QTOFsplash10-0006-9411670000-4b87898cd87c8025fa432021-09-24Wishart 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 IDNot Available
FooDB IDFDB000997
KNApSAcK IDC00057975
Chemspider ID35013081
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkViniferal
METLIN IDNot Available
PubChem Compound72963947
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1811311
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.. .