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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2018-04-09 17:55:27 UTC
Update Date2022-03-07 03:18:15 UTC
HMDB IDHMDB0240265
Secondary Accession NumbersNone
Metabolite Identification
Common NamePuerarin
DescriptionPuerarin, also known as Kakonein, is a member of the class of compounds known as isoflavonoid C-glycosides. These compounds are C-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Puerarin is considered a slightly soluble (in water), acidic compound. Puerarin can be synthesized into puerarin xyloside. Puerarin is found in a number of plants and herbs, such as the root of the kudzu plant.
Structure
Data?1563892739
Synonyms
ValueSource
Daidzein 8-C-glucosideHMDB
KakoneinHMDB, MeSH
Chemical FormulaC21H20O9
Average Molecular Weight416.3781
Monoisotopic Molecular Weight416.110732238
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
Traditional Namepuerarin
CAS Registry Number3681-99-0
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C1
InChI Identifier
InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
InChI KeyHKEAFJYKMMKDOR-VPRICQMDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as isoflavonoid c-glycosides. These are c-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassIsoflavonoids
Sub ClassIsoflavonoid C-glycosides
Direct ParentIsoflavonoid C-glycosides
Alternative Parents
Substituents
  • Isoflavonoid c-glycoside
  • Isoflavonoid-8-c-glycoside
  • Hydroxyisoflavonoid
  • Isoflavone
  • Phenolic glycoside
  • Hexose monosaccharide
  • C-glycosyl compound
  • Chromone
  • Glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Pyranone
  • Pyran
  • Monocyclic benzene moiety
  • Benzenoid
  • Oxane
  • Monosaccharide
  • Heteroaromatic compound
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Ether
  • Dialkyl ether
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Primary alcohol
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available196.401http://allccs.zhulab.cn/database/detail?ID=AllCCS00001492
Predicted Molecular Properties
PropertyValueSource
logP0.48ALOGPS
logP-0.027ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)6.03ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area156.91 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity102.82 m³·mol⁻¹ChemAxon
Polarizability41.19 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+191.87231661259
DarkChem[M-H]-182.78831661259
DeepCCS[M+H]+190.61130932474
DeepCCS[M-H]-188.54830932474
DeepCCS[M-2H]-221.78930932474
DeepCCS[M+Na]+196.52430932474
AllCCS[M+H]+199.832859911
AllCCS[M+H-H2O]+197.132859911
AllCCS[M+NH4]+202.332859911
AllCCS[M+Na]+203.032859911
AllCCS[M-H]-198.632859911
AllCCS[M+Na-2H]-199.032859911
AllCCS[M+HCOO]-199.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PuerarinOC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C14514.3Standard polar33892256
PuerarinOC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C13633.6Standard non polar33892256
PuerarinOC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C14165.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Puerarin,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O3922.5Semi standard non polar33892256
Puerarin,1TMS,isomer #2C[Si](C)(C)O[C@H]1[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@@H](O)[C@@H]1O3932.2Semi standard non polar33892256
Puerarin,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@H]1O3939.5Semi standard non polar33892256
Puerarin,1TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@H]1O3936.0Semi standard non polar33892256
Puerarin,1TMS,isomer #5C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O4013.7Semi standard non polar33892256
Puerarin,1TMS,isomer #6C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O)=CC=C3C2=O)C=C13984.7Semi standard non polar33892256
Puerarin,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O3838.6Semi standard non polar33892256
Puerarin,2TMS,isomer #10C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3864.1Semi standard non polar33892256
Puerarin,2TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=CC=C3C2=O)C=C13835.9Semi standard non polar33892256
Puerarin,2TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@H]1O[Si](C)(C)C3800.1Semi standard non polar33892256
Puerarin,2TMS,isomer #13C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3851.3Semi standard non polar33892256
Puerarin,2TMS,isomer #14C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O)=CC=C3C2=O)C=C13828.2Semi standard non polar33892256
Puerarin,2TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=CC=C3C2=O)C=C13918.5Semi standard non polar33892256
Puerarin,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O3834.5Semi standard non polar33892256
Puerarin,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3787.7Semi standard non polar33892256
Puerarin,2TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3779.3Semi standard non polar33892256
Puerarin,2TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3807.5Semi standard non polar33892256
Puerarin,2TMS,isomer #6C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3863.8Semi standard non polar33892256
Puerarin,2TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=CC=C3C2=O)C=C13819.2Semi standard non polar33892256
Puerarin,2TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@H]1O3783.5Semi standard non polar33892256
Puerarin,2TMS,isomer #9C[Si](C)(C)O[C@H]1[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C3808.1Semi standard non polar33892256
Puerarin,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O3786.8Semi standard non polar33892256
Puerarin,3TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3720.8Semi standard non polar33892256
Puerarin,3TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C2=O)C=C13786.0Semi standard non polar33892256
Puerarin,3TMS,isomer #12C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3727.0Semi standard non polar33892256
Puerarin,3TMS,isomer #13C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3746.3Semi standard non polar33892256
Puerarin,3TMS,isomer #14C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=CC=C3C2=O)C=C13727.1Semi standard non polar33892256
Puerarin,3TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=CC=C3C2=O)C=C13739.8Semi standard non polar33892256
Puerarin,3TMS,isomer #16C[Si](C)(C)O[C@H]1[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3715.4Semi standard non polar33892256
Puerarin,3TMS,isomer #17C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=CC=C3C2=O)C=C13797.7Semi standard non polar33892256
Puerarin,3TMS,isomer #18C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3734.2Semi standard non polar33892256
Puerarin,3TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=CC=C3C2=O)C=C13735.7Semi standard non polar33892256
Puerarin,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3729.0Semi standard non polar33892256
Puerarin,3TMS,isomer #20C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=CC=C3C2=O)C=C13787.2Semi standard non polar33892256
Puerarin,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3727.7Semi standard non polar33892256
Puerarin,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3747.7Semi standard non polar33892256
Puerarin,3TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3727.4Semi standard non polar33892256
Puerarin,3TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3734.4Semi standard non polar33892256
Puerarin,3TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3752.6Semi standard non polar33892256
Puerarin,3TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3696.0Semi standard non polar33892256
Puerarin,3TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3697.4Semi standard non polar33892256
Puerarin,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3735.5Semi standard non polar33892256
Puerarin,4TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3695.1Semi standard non polar33892256
Puerarin,4TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C2=O)C=C13743.0Semi standard non polar33892256
Puerarin,4TMS,isomer #12C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C2=O)C=C13751.9Semi standard non polar33892256
Puerarin,4TMS,isomer #13C[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3695.1Semi standard non polar33892256
Puerarin,4TMS,isomer #14C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=CC=C3C2=O)C=C13729.3Semi standard non polar33892256
Puerarin,4TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=CC=C3C2=O)C=C13741.3Semi standard non polar33892256
Puerarin,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3724.4Semi standard non polar33892256
Puerarin,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3747.5Semi standard non polar33892256
Puerarin,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3664.7Semi standard non polar33892256
Puerarin,4TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3668.3Semi standard non polar33892256
Puerarin,4TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3704.5Semi standard non polar33892256
Puerarin,4TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3702.0Semi standard non polar33892256
Puerarin,4TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3698.8Semi standard non polar33892256
Puerarin,4TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3724.5Semi standard non polar33892256
Puerarin,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3707.6Semi standard non polar33892256
Puerarin,5TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3710.0Semi standard non polar33892256
Puerarin,5TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3744.5Semi standard non polar33892256
Puerarin,5TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3706.5Semi standard non polar33892256
Puerarin,5TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3735.3Semi standard non polar33892256
Puerarin,5TMS,isomer #6C[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=CC=C3C2=O)C=C13741.1Semi standard non polar33892256
Puerarin,6TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3757.9Semi standard non polar33892256
Puerarin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O4195.3Semi standard non polar33892256
Puerarin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@@H](O)[C@@H]1O4195.8Semi standard non polar33892256
Puerarin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@H]1O4196.8Semi standard non polar33892256
Puerarin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@H]1O4201.6Semi standard non polar33892256
Puerarin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O4256.3Semi standard non polar33892256
Puerarin,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O)=CC=C3C2=O)C=C14227.4Semi standard non polar33892256
Puerarin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O4375.6Semi standard non polar33892256
Puerarin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4367.1Semi standard non polar33892256
Puerarin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=CC=C3C2=O)C=C14371.5Semi standard non polar33892256
Puerarin,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C4291.7Semi standard non polar33892256
Puerarin,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4374.9Semi standard non polar33892256
Puerarin,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O)=CC=C3C2=O)C=C14371.2Semi standard non polar33892256
Puerarin,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C14430.8Semi standard non polar33892256
Puerarin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O4366.3Semi standard non polar33892256
Puerarin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4299.6Semi standard non polar33892256
Puerarin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4291.0Semi standard non polar33892256
Puerarin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4328.1Semi standard non polar33892256
Puerarin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4363.3Semi standard non polar33892256
Puerarin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C2=O)C=C14345.5Semi standard non polar33892256
Puerarin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4284.6Semi standard non polar33892256
Puerarin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4297.6Semi standard non polar33892256
Puerarin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O4569.9Semi standard non polar33892256
Puerarin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4413.1Semi standard non polar33892256
Puerarin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C14560.0Semi standard non polar33892256
Puerarin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4443.4Semi standard non polar33892256
Puerarin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4446.8Semi standard non polar33892256
Puerarin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C2=O)C=C14511.3Semi standard non polar33892256
Puerarin,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C2=O)C=C14513.6Semi standard non polar33892256
Puerarin,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4396.2Semi standard non polar33892256
Puerarin,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C14589.5Semi standard non polar33892256
Puerarin,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4446.3Semi standard non polar33892256
Puerarin,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=CC=C3C2=O)C=C14503.7Semi standard non polar33892256
Puerarin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4454.6Semi standard non polar33892256
Puerarin,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C14582.8Semi standard non polar33892256
Puerarin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4446.0Semi standard non polar33892256
Puerarin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4474.3Semi standard non polar33892256
Puerarin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4500.0Semi standard non polar33892256
Puerarin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4508.1Semi standard non polar33892256
Puerarin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4532.1Semi standard non polar33892256
Puerarin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4389.5Semi standard non polar33892256
Puerarin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4401.4Semi standard non polar33892256
Puerarin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4666.2Semi standard non polar33892256
Puerarin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4529.3Semi standard non polar33892256
Puerarin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C14672.9Semi standard non polar33892256
Puerarin,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C14676.6Semi standard non polar33892256
Puerarin,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4561.3Semi standard non polar33892256
Puerarin,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=CC=C3C2=O)C=C14615.9Semi standard non polar33892256
Puerarin,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C([C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=CC=C3C2=O)C=C14675.8Semi standard non polar33892256
Puerarin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4673.8Semi standard non polar33892256
Puerarin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4684.2Semi standard non polar33892256
Puerarin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4548.0Semi standard non polar33892256
Puerarin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4560.6Semi standard non polar33892256
Puerarin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O[Si](C)(C)C(C)(C)C)C=CC3=C2OC=C(C2=CC=C(O)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4574.5Semi standard non polar33892256
Puerarin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4608.4Semi standard non polar33892256
Puerarin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4619.7Semi standard non polar33892256
Puerarin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](C2=C(O)C=CC3=C2OC=C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C3=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4625.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Puerarin GC-MS (TMS_3_13) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Puerarin GC-MS (TMS_4_12) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Puerarin GC-MS (TMS_4_13) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Puerarin GC-MS (TMS_5_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Puerarin GC-MS (TBDMS_3_13) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Puerarin GC-MS (TBDMS_4_12) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Puerarin GC-MS (TBDMS_4_13) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Puerarin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Puerarin GC-MS ("Puerarin,3TMS,#13" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin ESI-TOF 10V, Negative-QTOFsplash10-014i-0000900000-a447d2afd42a9adc05252017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin ESI-TOF , Negative-QTOFsplash10-014i-0000900010-b863ae3f0b9ed17d9a392017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin ESI-TOF 30V, Negative-QTOFsplash10-00kb-0090000000-f3c4a0b4e3177f12510c2017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin ESI-TOF 10V, Negative-QTOFsplash10-014i-0000900000-7fed27e6dfa7750805dd2017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin ESI-TOF 40V, Negative-QTOFsplash10-014i-0090000000-f75bdf7912e48c2079552017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin ESI-TOF 20V, Negative-QTOFsplash10-014i-0030900000-10d084d95d3435217c832017-09-12HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin LC-ESI-QTOF , negative-QTOFsplash10-014i-0090400000-481c4f8fe95244f150052017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin LC-ESI-QTOF , negative-QTOFsplash10-014i-0090000000-ac8678cf06d1e6bce6542017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin LC-ESI-QTOF , negative-QTOFsplash10-014i-0090300000-5d6a0eab5c14814a48762017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin LC-ESI-ITTOF , negative-QTOFsplash10-014j-0090000000-855096dd52732f7b802e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin LC-ESI-TOF , negative-QTOFsplash10-014i-0000900000-a447d2afd42a9adc05252017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin LC-ESI-TOF , negative-QTOFsplash10-00kb-0090000000-f3c4a0b4e3177f12510c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin LC-ESI-TOF , negative-QTOFsplash10-014i-0090000000-f75bdf7912e48c2079552017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin LC-ESI-TOF , negative-QTOFsplash10-014i-0030900000-10d084d95d3435217c832017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin LC-ESI-QTOF , positive-QTOFsplash10-014j-0092000000-03ba756c29bd3277b6df2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin LC-ESI-QTOF , positive-QTOFsplash10-014j-0094400000-200fe93c295eb613d5562017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin LC-ESI-QTOF , positive-QTOFsplash10-014j-0094300000-4b73ac74f54128ae757c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin 30V, Positive-QTOFsplash10-00kb-0090000000-f3c4a0b4e3177f12510c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Puerarin 10V, Positive-QTOFsplash10-014i-0096800000-d6312c27002bfd46810b2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Puerarin 10V, Positive-QTOFsplash10-014j-0006900000-72f7b6dd0e4eec3d3ade2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Puerarin 20V, Positive-QTOFsplash10-00kb-4329200000-2e230239b6cd7477ddda2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Puerarin 40V, Positive-QTOFsplash10-001i-5192000000-ea47ef7f757cec0586aa2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Puerarin 10V, Negative-QTOFsplash10-014i-1023900000-1ecfa6960eb10debbb7f2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Puerarin 20V, Negative-QTOFsplash10-0v4j-9288300000-111a550d30fb2d6bd2902017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Puerarin 40V, Negative-QTOFsplash10-0f6x-9161000000-9780d6d0c4232c48e84e2017-07-26Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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 IDDB12290
Phenol Explorer Compound IDNot Available
FooDB IDFDB029976
KNApSAcK IDC00006094
Chemspider ID4445119
KEGG Compound IDC10524
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPuerarin
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID8633
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1665221
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available