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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:28:04 UTC
Update Date2022-03-07 02:54:09 UTC
HMDB IDHMDB0034590
Secondary Accession Numbers
  • HMDB34590
Metabolite Identification
Common NameShoyuflavone C
DescriptionShoyuflavone C belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Shoyuflavone C has been detected, but not quantified in, herbs and spices. This could make shoyuflavone C a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Shoyuflavone C.
Structure
Data?1563862587
Synonyms
ValueSource
Shoyuflavone-CHMDB
2-{[5,8-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-hydroxybutanedioateHMDB
Shoyuflavone CMeSH
Chemical FormulaC19H14O11
Average Molecular Weight418.3079
Monoisotopic Molecular Weight418.05361129
IUPAC Name2-{[5,8-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3-hydroxybutanedioic acid
Traditional Name2-{[5,8-dihydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3-hydroxybutanedioic acid
CAS Registry Number194664-54-5
SMILES
OC(C(OC1=C(O)C2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C19H14O11/c20-8-3-1-7(2-4-8)9-6-29-16-12(13(9)22)10(21)5-11(14(16)23)30-17(19(27)28)15(24)18(25)26/h1-6,15,17,20-21,23-24H,(H,25,26)(H,27,28)
InChI KeyDGJSSBCAHRQASY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassIsoflavonoids
Sub ClassIsoflav-2-enes
Direct ParentIsoflavones
Alternative Parents
Substituents
  • Isoflavone
  • Hydroxyisoflavonoid
  • Phenoxyacetate
  • Chromone
  • 1-benzopyran
  • Benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Alkyl aryl ether
  • Pyranone
  • Sugar acid
  • Beta-hydroxy acid
  • Hydroxy acid
  • Monosaccharide
  • Alpha-hydroxy acid
  • Benzenoid
  • Dicarboxylic acid or derivatives
  • Monocyclic benzene moiety
  • Pyran
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Ether
  • Organoheterocyclic compound
  • Carboxylic acid
  • Carboxylic acid derivative
  • Oxacycle
  • Organic oxygen compound
  • Carbonyl group
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point209 - 212 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.44 g/LALOGPS
logP2.18ALOGPS
logP1.61ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)2.48ChemAxon
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area191.05 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity96.1 m³·mol⁻¹ChemAxon
Polarizability38.25 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+195.89731661259
DarkChem[M-H]-189.28831661259
DeepCCS[M+H]+186.26230932474
DeepCCS[M-H]-183.86730932474
DeepCCS[M-2H]-216.76430932474
DeepCCS[M+Na]+192.17530932474
AllCCS[M+H]+192.232859911
AllCCS[M+H-H2O]+189.632859911
AllCCS[M+NH4]+194.532859911
AllCCS[M+Na]+195.232859911
AllCCS[M-H]-190.432859911
AllCCS[M+Na-2H]-190.332859911
AllCCS[M+HCOO]-190.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Shoyuflavone COC(C(OC1=C(O)C2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C(O)=O)C(O)=O5517.0Standard polar33892256
Shoyuflavone COC(C(OC1=C(O)C2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C(O)=O)C(O)=O3297.9Standard non polar33892256
Shoyuflavone COC(C(OC1=C(O)C2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1)C(O)=O)C(O)=O3926.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Shoyuflavone C,1TMS,isomer #1C[Si](C)(C)OC(C(=O)O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O3956.0Semi standard non polar33892256
Shoyuflavone C,1TMS,isomer #2C[Si](C)(C)OC1=C(OC(C(=O)O)C(O)C(=O)O)C=C(O)C2=C1OC=C(C1=CC=C(O)C=C1)C2=O3850.3Semi standard non polar33892256
Shoyuflavone C,1TMS,isomer #3C[Si](C)(C)OC1=CC(OC(C(=O)O)C(O)C(=O)O)=C(O)C2=C1C(=O)C(C1=CC=C(O)C=C1)=CO23910.7Semi standard non polar33892256
Shoyuflavone C,1TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=COC3=C(O)C(OC(C(=O)O)C(O)C(=O)O)=CC(O)=C3C2=O)C=C13925.3Semi standard non polar33892256
Shoyuflavone C,1TMS,isomer #5C[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(O)C(=O)O3955.5Semi standard non polar33892256
Shoyuflavone C,1TMS,isomer #6C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O3936.7Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O3835.0Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #10C[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(O)C(=O)O3801.7Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #11C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O3781.3Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #12C[Si](C)(C)OC1=CC=C(C2=COC3=C(O)C(OC(C(=O)O)C(O)C(=O)O)=CC(O[Si](C)(C)C)=C3C2=O)C=C13803.3Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #13C[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O)C(O)C(=O)O3811.8Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #14C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O)C(=O)O3797.9Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #15C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O[Si](C)(C)C3798.5Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #2C[Si](C)(C)OC1=CC(OC(C(=O)O)C(O[Si](C)(C)C)C(=O)O)=C(O)C2=C1C(=O)C(C1=CC=C(O)C=C1)=CO23805.7Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2=COC3=C(O)C(OC(C(=O)O)C(O[Si](C)(C)C)C(=O)O)=CC(O)=C3C2=O)C=C13828.7Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #4C[Si](C)(C)OC1=C(OC(C(=O)O)C(O[Si](C)(C)C)C(=O)O)C=C(O)C2=C1OC=C(C1=CC=C(O)C=C1)C2=O3756.0Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #5C[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(O[Si](C)(C)C)C(=O)O3843.6Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #6C[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C)C(O)C(=O)O3760.5Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #7C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C)C(=O)O3730.2Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #8C[Si](C)(C)OC1=C(OC(C(=O)O)C(O)C(=O)O)C=C(O[Si](C)(C)C)C2=C1OC=C(C1=CC=C(O)C=C1)C2=O3748.0Semi standard non polar33892256
Shoyuflavone C,2TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=COC3=C(O[Si](C)(C)C)C(OC(C(=O)O)C(O)C(=O)O)=CC(O)=C3C2=O)C=C13765.3Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O3740.4Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #10C[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O3738.0Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #11C[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C)C(O)C(=O)O3703.0Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #12C[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C)C(O)C(=O)O3723.2Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #13C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3686.2Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #14C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C)C(=O)O3676.6Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #15C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C)C(=O)O3704.9Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #16C[Si](C)(C)OC1=CC=C(C2=COC3=C(O[Si](C)(C)C)C(OC(C(=O)O)C(O)C(=O)O)=CC(O[Si](C)(C)C)=C3C2=O)C=C13720.7Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #17C[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O)C(O)C(=O)O3730.4Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #18C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O[Si](C)(C)C3699.4Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #19C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O)C(=O)O3714.9Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #2C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O)C(=O)O3764.3Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #20C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O)C(=O)O[Si](C)(C)C3705.4Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #3C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C)C(=O)O3726.9Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #4C[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3759.4Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #5C[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(O[Si](C)(C)C)C(=O)O3740.1Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #6C[Si](C)(C)OC1=C(OC(C(=O)O)C(O[Si](C)(C)C)C(=O)O)C=C(O[Si](C)(C)C)C2=C1OC=C(C1=CC=C(O)C=C1)C2=O3721.1Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=COC3=C(O)C(OC(C(=O)O)C(O[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C3C2=O)C=C13747.9Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #8C[Si](C)(C)OC1=CC=C(C2=COC3=C(O[Si](C)(C)C)C(OC(C(=O)O)C(O[Si](C)(C)C)C(=O)O)=CC(O)=C3C2=O)C=C13746.4Semi standard non polar33892256
Shoyuflavone C,3TMS,isomer #9C[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O)C(O[Si](C)(C)C)C(=O)O3762.8Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O)C(=O)O3690.4Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #10C[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O3712.5Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #11C[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C)C(O)C(=O)O3683.2Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #12C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3637.9Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #13C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3657.9Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #14C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C)C(=O)O3672.3Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #15C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O)C(=O)O[Si](C)(C)C3693.0Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #2C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C)C(=O)O3691.2Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #3C[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3674.6Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #4C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C)C(=O)O3717.1Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #5C[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3685.1Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #6C[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3718.8Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #7C[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O)C(O[Si](C)(C)C)C(=O)O3687.4Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #8C[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O3689.8Semi standard non polar33892256
Shoyuflavone C,4TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=COC3=C(O[Si](C)(C)C)C(OC(C(=O)O)C(O[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C3C2=O)C=C13706.2Semi standard non polar33892256
Shoyuflavone C,5TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C)C(=O)O3684.6Semi standard non polar33892256
Shoyuflavone C,5TMS,isomer #2C[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3690.5Semi standard non polar33892256
Shoyuflavone C,5TMS,isomer #3C[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3653.0Semi standard non polar33892256
Shoyuflavone C,5TMS,isomer #4C[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3672.1Semi standard non polar33892256
Shoyuflavone C,5TMS,isomer #5C[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O3683.8Semi standard non polar33892256
Shoyuflavone C,5TMS,isomer #6C[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C3683.6Semi standard non polar33892256
Shoyuflavone C,6TMS,isomer #1C[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C3675.2Semi standard non polar33892256
Shoyuflavone C,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(C(=O)O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O4256.4Semi standard non polar33892256
Shoyuflavone C,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=C(OC(C(=O)O)C(O)C(=O)O)C=C(O)C2=C1OC=C(C1=CC=C(O)C=C1)C2=O4114.1Semi standard non polar33892256
Shoyuflavone C,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(OC(C(=O)O)C(O)C(=O)O)=C(O)C2=C1C(=O)C(C1=CC=C(O)C=C1)=CO24191.6Semi standard non polar33892256
Shoyuflavone C,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C(O)C(OC(C(=O)O)C(O)C(=O)O)=CC(O)=C3C2=O)C=C14195.5Semi standard non polar33892256
Shoyuflavone C,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(O)C(=O)O4253.2Semi standard non polar33892256
Shoyuflavone C,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O4225.5Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O4364.4Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(O)C(=O)O4321.7Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O4290.5Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C(O)C(OC(C(=O)O)C(O)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C14279.6Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O)C(O)C(=O)O4343.6Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O)C(=O)O4310.2Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O[Si](C)(C)C(C)(C)C4347.1Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=C(O)C2=C1C(=O)C(C1=CC=C(O)C=C1)=CO24284.8Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C(O)C(OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O)=C3C2=O)C=C14319.4Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C(OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)C=C(O)C2=C1OC=C(C1=CC=C(O)C=C1)C2=O4258.1Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(O[Si](C)(C)C(C)(C)C)C(=O)O4364.4Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(O)C(=O)O4288.2Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(=O)O4248.9Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=C(OC(C(=O)O)C(O)C(=O)O)C=C(O[Si](C)(C)C(C)(C)C)C2=C1OC=C(C1=CC=C(O)C=C1)C2=O4199.7Semi standard non polar33892256
Shoyuflavone C,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C(O[Si](C)(C)C(C)(C)C)C(OC(C(=O)O)C(O)C(=O)O)=CC(O)=C3C2=O)C=C14232.8Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O4381.7Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O4378.6Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(O)C(=O)O4361.9Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(O)C(=O)O4409.8Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4383.8Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(=O)O4338.2Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(=O)O4381.2Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C(O[Si](C)(C)C(C)(C)C)C(OC(C(=O)O)C(O)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C14363.7Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O)C(O)C(=O)O4461.1Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(=O)O[Si](C)(C)C(C)(C)C4424.8Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O)C(=O)O4456.4Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O)C(=O)O4427.6Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O)C(=O)O[Si](C)(C)C(C)(C)C4459.2Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(=O)O4374.6Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4449.5Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(O[Si](C)(C)C(C)(C)C)C(=O)O4377.1Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=C(OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)C=C(O[Si](C)(C)C(C)(C)C)C2=C1OC=C(C1=CC=C(O)C=C1)C2=O4296.6Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C(O)C(OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C14379.9Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C(O[Si](C)(C)C(C)(C)C)C(OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O)=C3C2=O)C=C14353.3Semi standard non polar33892256
Shoyuflavone C,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O)C(O[Si](C)(C)C(C)(C)C)C(=O)O4422.9Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O)C(=O)O4567.6Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O4513.1Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(O)C(=O)O4562.5Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4490.8Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4545.2Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(=O)O4551.0Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O)C(=O)O[Si](C)(C)C(C)(C)C4647.8Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(=O)O4449.0Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4529.1Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(=O)O4508.2Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4561.6Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4489.1Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=COC2=C1O)C(O[Si](C)(C)C(C)(C)C)C(=O)O4567.3Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O4455.0Semi standard non polar33892256
Shoyuflavone C,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C2=COC3=C(O[Si](C)(C)C(C)(C)C)C(OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C=C14485.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Shoyuflavone C GC-MS (Non-derivatized) - 70eV, Positivesplash10-000f-8179200000-cfa57898076469a8d7182017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Shoyuflavone C GC-MS (3 TMS) - 70eV, Positivesplash10-014l-9307056000-44c04de413657f7a4f442017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Shoyuflavone C GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Shoyuflavone C GC-MS (TMS_5_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Shoyuflavone C GC-MS (TMS_6_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Shoyuflavone C GC-MS ("Shoyuflavone C,5TMS,#3" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Shoyuflavone C 10V, Positive-QTOFsplash10-0uxr-0014900000-5c377302e1609f09c9e42016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Shoyuflavone C 20V, Positive-QTOFsplash10-0fuf-2139200000-f6b73c18b0f539eda8f12016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Shoyuflavone C 40V, Positive-QTOFsplash10-014r-5790000000-45a88cf57d9dbcfc935a2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Shoyuflavone C 10V, Negative-QTOFsplash10-00xu-2019200000-74a83fd560ec9ee064ae2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Shoyuflavone C 20V, Negative-QTOFsplash10-0079-2179000000-f4a52fca59bd9cb2af742016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Shoyuflavone C 40V, Negative-QTOFsplash10-00ko-5591000000-53199572110ffa4f54a82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Shoyuflavone C 10V, Positive-QTOFsplash10-0uxr-0032900000-c843942bfc2868230cb92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Shoyuflavone C 20V, Positive-QTOFsplash10-000i-0090000000-6a0d32bc5cb0d82e626e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Shoyuflavone C 40V, Positive-QTOFsplash10-000i-9460000000-3ff9e6a1585171d90f162021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Shoyuflavone C 10V, Negative-QTOFsplash10-000i-8191100000-072d68137648f9ee53d02021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Shoyuflavone C 20V, Negative-QTOFsplash10-000i-1091000000-a1b67e1ad43fc11dc3e32021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Shoyuflavone C 40V, Negative-QTOFsplash10-052r-3290000000-b44edd23253b85a97ba82021-09-25Wishart 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 IDFDB013106
KNApSAcK IDC00057205
Chemspider ID8246158
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10070618
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.. .