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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:37:35 UTC
Update Date2022-03-07 02:52:35 UTC
HMDB IDHMDB0030553
Secondary Accession Numbers
  • HMDB30553
Metabolite Identification
Common NameTricin 7-glucoside
DescriptionTricin 7-glucoside belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Tricin 7-glucoside has been detected, but not quantified in, several different foods, such as tartary buckwheats (Fagopyrum tataricum), spelts (Triticum spelta), flour, triticales (X Triticosecale rimpaui), and barleys (Hordeum vulgare). This could make tricin 7-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Tricin 7-glucoside.
Structure
Data?1563862003
Synonyms
ValueSource
2,4-dichloro-6-(O-Chlorophenoxy)-S-triazineHMDB
GlucotricinHMDB
Tricin 7-O-glucosideHMDB
Chemical FormulaC23H24O12
Average Molecular Weight492.4295
Monoisotopic Molecular Weight492.126776232
IUPAC Name5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Traditional Name5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
CAS Registry Number32769-01-0
SMILES
COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1
InChI Identifier
InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3
InChI KeyJGXFMIJHKASCIZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-7-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-7-o-glycoside
  • 3p-methoxyflavonoid-skeleton
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • Flavone
  • Hydroxyflavonoid
  • Phenolic glycoside
  • Hexose monosaccharide
  • O-glycosyl compound
  • Chromone
  • Glycosyl compound
  • Methoxyphenol
  • Benzopyran
  • 1-benzopyran
  • M-dimethoxybenzene
  • Dimethoxybenzene
  • Methoxybenzene
  • Anisole
  • Phenoxy compound
  • Phenol ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Pyranone
  • Phenol
  • Oxane
  • Pyran
  • Monosaccharide
  • Monocyclic benzene moiety
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Oxacycle
  • Ether
  • Acetal
  • Organoheterocyclic compound
  • Polyol
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Organooxygen compound
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point240 - 241 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.53 g/LALOGPS
logP0.69ALOGPS
logP0.12ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)8.27ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area184.6 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity117.98 m³·mol⁻¹ChemAxon
Polarizability48.15 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+214.77331661259
DarkChem[M-H]-213.95331661259
DeepCCS[M+H]+208.45930932474
DeepCCS[M-H]-206.06330932474
DeepCCS[M-2H]-238.94730932474
DeepCCS[M+Na]+214.37230932474
AllCCS[M+H]+212.932859911
AllCCS[M+H-H2O]+210.732859911
AllCCS[M+NH4]+214.832859911
AllCCS[M+Na]+215.432859911
AllCCS[M-H]-210.632859911
AllCCS[M+Na-2H]-211.632859911
AllCCS[M+HCOO]-212.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Tricin 7-glucosideCOC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O15711.3Standard polar33892256
Tricin 7-glucosideCOC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O14370.0Standard non polar33892256
Tricin 7-glucosideCOC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O14722.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Tricin 7-glucoside,1TMS,isomer #1COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4538.8Semi standard non polar33892256
Tricin 7-glucoside,1TMS,isomer #2COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O4595.4Semi standard non polar33892256
Tricin 7-glucoside,1TMS,isomer #3COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O4596.4Semi standard non polar33892256
Tricin 7-glucoside,1TMS,isomer #4COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O4592.8Semi standard non polar33892256
Tricin 7-glucoside,1TMS,isomer #5COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O4593.0Semi standard non polar33892256
Tricin 7-glucoside,1TMS,isomer #6COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4593.2Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #1COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4374.1Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #10COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O4421.9Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #11COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O4422.3Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #12COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4431.1Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #13COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O4396.3Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #14COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4405.7Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #15COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4417.4Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #2COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4364.9Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #3COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4374.8Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #4COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4376.9Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #5COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4383.9Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #6COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O4406.6Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #7COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O4398.8Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #8COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O4411.7Semi standard non polar33892256
Tricin 7-glucoside,2TMS,isomer #9COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4382.3Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #1COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4217.4Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #10COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4261.0Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #11COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O4254.4Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #12COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O4270.2Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #13COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4245.1Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #14COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O4245.5Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #15COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4246.3Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #16COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4249.4Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #17COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O4273.9Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #18COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4319.0Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #19COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4270.3Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #2COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4240.3Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #20COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4265.1Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #3COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4245.2Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #4COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4219.2Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #5COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4228.4Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #6COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4237.1Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #7COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4243.4Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #8COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4246.1Semi standard non polar33892256
Tricin 7-glucoside,3TMS,isomer #9COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4253.1Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #1COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4156.2Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #10COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4193.1Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #11COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O4170.1Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #12COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4213.5Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #13COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4171.8Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #14COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4171.5Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #15COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4244.0Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #2COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4169.7Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #3COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4151.8Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #4COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4159.9Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #5COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4172.7Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #6COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4167.3Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #7COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4186.0Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #8COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4224.6Semi standard non polar33892256
Tricin 7-glucoside,4TMS,isomer #9COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4191.0Semi standard non polar33892256
Tricin 7-glucoside,5TMS,isomer #1COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4124.5Semi standard non polar33892256
Tricin 7-glucoside,5TMS,isomer #2COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4147.6Semi standard non polar33892256
Tricin 7-glucoside,5TMS,isomer #3COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4123.8Semi standard non polar33892256
Tricin 7-glucoside,5TMS,isomer #4COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4108.6Semi standard non polar33892256
Tricin 7-glucoside,5TMS,isomer #5COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C4184.3Semi standard non polar33892256
Tricin 7-glucoside,5TMS,isomer #6COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC(OC)=C1O4159.5Semi standard non polar33892256
Tricin 7-glucoside,1TBDMS,isomer #1COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4803.8Semi standard non polar33892256
Tricin 7-glucoside,1TBDMS,isomer #2COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O4857.1Semi standard non polar33892256
Tricin 7-glucoside,1TBDMS,isomer #3COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O4872.6Semi standard non polar33892256
Tricin 7-glucoside,1TBDMS,isomer #4COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O4901.6Semi standard non polar33892256
Tricin 7-glucoside,1TBDMS,isomer #5COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC(OC)=C1O4913.0Semi standard non polar33892256
Tricin 7-glucoside,1TBDMS,isomer #6COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O4904.7Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #1COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4895.5Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #10COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O4918.8Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #11COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC(OC)=C1O4940.8Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #12COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O4925.0Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #13COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC(OC)=C1O4910.9Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #14COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O4929.9Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #15COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O4950.4Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #2COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4861.4Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #3COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4884.1Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #4COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4883.6Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #5COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4873.6Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #6COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O4910.6Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #7COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O4948.6Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #8COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC(OC)=C1O4952.4Semi standard non polar33892256
Tricin 7-glucoside,2TBDMS,isomer #9COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O4915.2Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #1COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4976.8Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #10COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4976.5Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #11COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O5013.5Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #12COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC(OC)=C1O5023.7Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #13COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O4996.8Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #14COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC(OC)=C1O5004.5Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #15COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O5003.6Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #16COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O5016.7Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #17COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC(OC)=C1O5009.2Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #18COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O5030.8Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #19COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O5009.9Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #2COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C5008.0Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #20COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O5009.4Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #3COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4987.9Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #4COC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4968.9Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #5COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4948.6Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #6COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4972.3Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #7COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4953.6Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #8COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4963.3Semi standard non polar33892256
Tricin 7-glucoside,3TBDMS,isomer #9COC1=CC(C2=CC(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4963.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Tricin 7-glucoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-074i-9302800000-8787893ff67454b47a932017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tricin 7-glucoside GC-MS (2 TMS) - 70eV, Positivesplash10-00di-7400029000-79c6f797977e1f7d36412017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tricin 7-glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Tricin 7-glucoside 6V, Positive-QTOFsplash10-002f-0017900000-f5076e33214b3f9ee2102021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tricin 7-glucoside 6V, Negative-QTOFsplash10-002f-0017900000-e7f07e6ce8af047c0c1c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tricin 7-glucoside 6V, Positive-QTOFsplash10-001i-0009100000-92519ab6a03f67fe1acf2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tricin 7-glucoside 10V, Positive-QTOFsplash10-001l-0109800000-9eb86ef8ea66b8eca1b72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tricin 7-glucoside 20V, Positive-QTOFsplash10-001i-0009100000-b639f301695ac0a300ab2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tricin 7-glucoside 40V, Positive-QTOFsplash10-0159-2219000000-5c6265f124974f4eca812016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tricin 7-glucoside 10V, Negative-QTOFsplash10-002f-1105900000-5085f44a20dbdaed3b332016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tricin 7-glucoside 20V, Negative-QTOFsplash10-01t9-1019300000-88eed1c804aaf2ffe1932016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tricin 7-glucoside 40V, Negative-QTOFsplash10-03fr-2029000000-7c31b0d609137c8e64ed2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tricin 7-glucoside 10V, Negative-QTOFsplash10-0006-0000900000-3e593794808d28ce71fd2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tricin 7-glucoside 20V, Negative-QTOFsplash10-002f-0005900000-8acfaca492d0190ca3242021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tricin 7-glucoside 40V, Negative-QTOFsplash10-004i-0009100000-0bf8dd566ffda3601f302021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tricin 7-glucoside 10V, Positive-QTOFsplash10-001l-0009400000-be579c232234ba9f5c1f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tricin 7-glucoside 20V, Positive-QTOFsplash10-001i-0009100000-e86b953a94613e5b66772021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tricin 7-glucoside 40V, Positive-QTOFsplash10-001i-0009000000-6e7c1f722f7f2751ab682021-09-24Wishart LabView 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 IDNot Available
FooDB IDFDB002429
KNApSAcK IDC00004444
Chemspider ID15973419
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound13984469
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .