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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:17:13 UTC
Update Date2022-03-07 02:55:35 UTC
HMDB IDHMDB0038009
Secondary Accession Numbers
  • HMDB38009
Metabolite Identification
Common NameMalvin
DescriptionMalvin is found in alfalfa. Malvin is a naturally occurring chemical of the Anthocyanin family. It is a diglucoside of malvidin mainly found as a pigment in herbs like Malva (Malva sylvestris), Primula and Rhododendron. It can be found in a variety of common foods, including but not limited to the following:[citation needed].
Structure
Data?1563863125
Synonyms
ValueSource
Malvidin-3,5-diglucosideHMDB
MalvosideHMDB
Malvidin 3,5-diglucosideMeSH, HMDB
MalvinMeSH
Chemical FormulaC29H35O17
Average Molecular Weight655.578
Monoisotopic Molecular Weight655.187424694
IUPAC Name7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1λ⁴-chromen-1-ylium
Traditional Namemalvin
CAS Registry Number16727-30-3
SMILES
COC1=CC(=CC(OC)=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]1
InChI Identifier
InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1
InChI KeyCILLXFBAACIQNS-UHFFFAOYSA-O
Chemical Taxonomy
Description Belongs to the class of organic compounds known as c19-gibberellin 6-carboxylic acids. These are c19-gibberellins with a carboxyl group at the 6-position.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassDiterpenoids
Direct ParentC19-gibberellin 6-carboxylic acids
Alternative Parents
Substituents
  • 20-norgibberellane-6-carboxylic acid
  • Diterpene lactone
  • Gamma butyrolactone
  • Dicarboxylic acid or derivatives
  • Tetrahydrofuran
  • Lactone
  • Carboxylic acid ester
  • Oxacycle
  • Organoheterocyclic compound
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point165 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility3001 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.92 g/LALOGPS
logP-0.01ALOGPS
logP-2.5ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)6.64ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count10ChemAxon
Polar Surface Area270.82 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity159.35 m³·mol⁻¹ChemAxon
Polarizability62.75 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+231.56530932474
DeepCCS[M-H]-229.1730932474
DeepCCS[M-2H]-262.13830932474
DeepCCS[M+Na]+237.30730932474
AllCCS[M+H]+241.232859911
AllCCS[M+H-H2O]+240.232859911
AllCCS[M+NH4]+242.032859911
AllCCS[M+Na]+242.332859911
AllCCS[M-H]-237.832859911
AllCCS[M+Na-2H]-240.632859911
AllCCS[M+HCOO]-243.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
MalvinCOC1=CC(=CC(OC)=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]15605.1Standard polar33892256
MalvinCOC1=CC(=CC(OC)=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]15617.8Standard non polar33892256
MalvinCOC1=CC(=CC(OC)=C1O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C2C(OC3OC(CO)C(O)C(O)C3O)=CC(O)=CC2=[O+]16013.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Malvin,1TMS,isomer #1COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5705.4Semi standard non polar33892256
Malvin,1TMS,isomer #10COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5797.0Semi standard non polar33892256
Malvin,1TMS,isomer #2COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5717.8Semi standard non polar33892256
Malvin,1TMS,isomer #3COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5740.2Semi standard non polar33892256
Malvin,1TMS,isomer #4COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5712.5Semi standard non polar33892256
Malvin,1TMS,isomer #5COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5741.2Semi standard non polar33892256
Malvin,1TMS,isomer #6COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5714.6Semi standard non polar33892256
Malvin,1TMS,isomer #7COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5739.9Semi standard non polar33892256
Malvin,1TMS,isomer #8COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5712.4Semi standard non polar33892256
Malvin,1TMS,isomer #9COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5737.5Semi standard non polar33892256
Malvin,2TMS,isomer #1COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5531.1Semi standard non polar33892256
Malvin,2TMS,isomer #10COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5524.5Semi standard non polar33892256
Malvin,2TMS,isomer #11COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5505.0Semi standard non polar33892256
Malvin,2TMS,isomer #12COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5507.9Semi standard non polar33892256
Malvin,2TMS,isomer #13COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5474.2Semi standard non polar33892256
Malvin,2TMS,isomer #14COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5524.0Semi standard non polar33892256
Malvin,2TMS,isomer #15COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5525.9Semi standard non polar33892256
Malvin,2TMS,isomer #16COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5491.3Semi standard non polar33892256
Malvin,2TMS,isomer #17COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5543.0Semi standard non polar33892256
Malvin,2TMS,isomer #18COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5559.6Semi standard non polar33892256
Malvin,2TMS,isomer #19COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5509.3Semi standard non polar33892256
Malvin,2TMS,isomer #2COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5509.3Semi standard non polar33892256
Malvin,2TMS,isomer #20COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5532.4Semi standard non polar33892256
Malvin,2TMS,isomer #21COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5498.0Semi standard non polar33892256
Malvin,2TMS,isomer #22COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5543.2Semi standard non polar33892256
Malvin,2TMS,isomer #23COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5521.7Semi standard non polar33892256
Malvin,2TMS,isomer #24COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5546.1Semi standard non polar33892256
Malvin,2TMS,isomer #25COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5513.8Semi standard non polar33892256
Malvin,2TMS,isomer #26COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5475.4Semi standard non polar33892256
Malvin,2TMS,isomer #27COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5497.6Semi standard non polar33892256
Malvin,2TMS,isomer #28COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5462.1Semi standard non polar33892256
Malvin,2TMS,isomer #29COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5507.1Semi standard non polar33892256
Malvin,2TMS,isomer #3COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5535.5Semi standard non polar33892256
Malvin,2TMS,isomer #30COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O5554.5Semi standard non polar33892256
Malvin,2TMS,isomer #31COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5569.1Semi standard non polar33892256
Malvin,2TMS,isomer #32COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5526.3Semi standard non polar33892256
Malvin,2TMS,isomer #33COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5544.5Semi standard non polar33892256
Malvin,2TMS,isomer #34COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5509.9Semi standard non polar33892256
Malvin,2TMS,isomer #35COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5558.0Semi standard non polar33892256
Malvin,2TMS,isomer #36COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5522.8Semi standard non polar33892256
Malvin,2TMS,isomer #37COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5524.8Semi standard non polar33892256
Malvin,2TMS,isomer #38COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5491.9Semi standard non polar33892256
Malvin,2TMS,isomer #39COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5542.6Semi standard non polar33892256
Malvin,2TMS,isomer #4COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5496.9Semi standard non polar33892256
Malvin,2TMS,isomer #40COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5558.7Semi standard non polar33892256
Malvin,2TMS,isomer #41COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5521.7Semi standard non polar33892256
Malvin,2TMS,isomer #42COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5543.6Semi standard non polar33892256
Malvin,2TMS,isomer #43COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5512.6Semi standard non polar33892256
Malvin,2TMS,isomer #44COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5555.5Semi standard non polar33892256
Malvin,2TMS,isomer #45COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5564.8Semi standard non polar33892256
Malvin,2TMS,isomer #5COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5546.1Semi standard non polar33892256
Malvin,2TMS,isomer #6COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5508.4Semi standard non polar33892256
Malvin,2TMS,isomer #7COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5536.4Semi standard non polar33892256
Malvin,2TMS,isomer #8COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C5496.5Semi standard non polar33892256
Malvin,2TMS,isomer #9COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5548.8Semi standard non polar33892256
Malvin,3TMS,isomer #1COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5268.6Semi standard non polar33892256
Malvin,3TMS,isomer #10COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5283.5Semi standard non polar33892256
Malvin,3TMS,isomer #100COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O5373.2Semi standard non polar33892256
Malvin,3TMS,isomer #101COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5316.3Semi standard non polar33892256
Malvin,3TMS,isomer #102COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5354.3Semi standard non polar33892256
Malvin,3TMS,isomer #103COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5303.0Semi standard non polar33892256
Malvin,3TMS,isomer #104COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5357.6Semi standard non polar33892256
Malvin,3TMS,isomer #105COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5357.4Semi standard non polar33892256
Malvin,3TMS,isomer #106COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5321.5Semi standard non polar33892256
Malvin,3TMS,isomer #107COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5374.3Semi standard non polar33892256
Malvin,3TMS,isomer #108COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5330.4Semi standard non polar33892256
Malvin,3TMS,isomer #109COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5360.8Semi standard non polar33892256
Malvin,3TMS,isomer #11COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5344.1Semi standard non polar33892256
Malvin,3TMS,isomer #110COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5375.6Semi standard non polar33892256
Malvin,3TMS,isomer #111COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5316.5Semi standard non polar33892256
Malvin,3TMS,isomer #112COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5276.7Semi standard non polar33892256
Malvin,3TMS,isomer #113COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5335.9Semi standard non polar33892256
Malvin,3TMS,isomer #114COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5304.3Semi standard non polar33892256
Malvin,3TMS,isomer #115COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5384.8Semi standard non polar33892256
Malvin,3TMS,isomer #116COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5349.9Semi standard non polar33892256
Malvin,3TMS,isomer #117COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5300.9Semi standard non polar33892256
Malvin,3TMS,isomer #118COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5327.1Semi standard non polar33892256
Malvin,3TMS,isomer #119COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5388.4Semi standard non polar33892256
Malvin,3TMS,isomer #12COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5263.6Semi standard non polar33892256
Malvin,3TMS,isomer #120COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5342.3Semi standard non polar33892256
Malvin,3TMS,isomer #13COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5307.4Semi standard non polar33892256
Malvin,3TMS,isomer #14COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C5258.0Semi standard non polar33892256
Malvin,3TMS,isomer #15COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5314.6Semi standard non polar33892256
Malvin,3TMS,isomer #16COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5309.9Semi standard non polar33892256
Malvin,3TMS,isomer #17COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5342.6Semi standard non polar33892256
Malvin,3TMS,isomer #18COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5305.2Semi standard non polar33892256
Malvin,3TMS,isomer #19COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5358.5Semi standard non polar33892256
Malvin,3TMS,isomer #2COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5315.5Semi standard non polar33892256
Malvin,3TMS,isomer #20COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C5307.1Semi standard non polar33892256
Malvin,3TMS,isomer #21COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5362.9Semi standard non polar33892256
Malvin,3TMS,isomer #22COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5353.0Semi standard non polar33892256
Malvin,3TMS,isomer #23COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5258.5Semi standard non polar33892256
Malvin,3TMS,isomer #24COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5308.5Semi standard non polar33892256
Malvin,3TMS,isomer #25COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C5251.0Semi standard non polar33892256
Malvin,3TMS,isomer #26COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5315.7Semi standard non polar33892256
Malvin,3TMS,isomer #27COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5313.8Semi standard non polar33892256
Malvin,3TMS,isomer #28COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5362.3Semi standard non polar33892256
Malvin,3TMS,isomer #29COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C5313.3Semi standard non polar33892256
Malvin,3TMS,isomer #3COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5260.0Semi standard non polar33892256
Malvin,3TMS,isomer #30COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5369.7Semi standard non polar33892256
Malvin,3TMS,isomer #31COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5317.5Semi standard non polar33892256
Malvin,3TMS,isomer #32COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C5278.7Semi standard non polar33892256
Malvin,3TMS,isomer #33COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5341.9Semi standard non polar33892256
Malvin,3TMS,isomer #34COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C5308.2Semi standard non polar33892256
Malvin,3TMS,isomer #35COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5341.8Semi standard non polar33892256
Malvin,3TMS,isomer #36COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5349.3Semi standard non polar33892256
Malvin,3TMS,isomer #37COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5281.2Semi standard non polar33892256
Malvin,3TMS,isomer #38COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5312.9Semi standard non polar33892256
Malvin,3TMS,isomer #39COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5257.0Semi standard non polar33892256
Malvin,3TMS,isomer #4COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5324.9Semi standard non polar33892256
Malvin,3TMS,isomer #40COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5314.7Semi standard non polar33892256
Malvin,3TMS,isomer #41COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5314.7Semi standard non polar33892256
Malvin,3TMS,isomer #42COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5275.0Semi standard non polar33892256
Malvin,3TMS,isomer #43COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5334.7Semi standard non polar33892256
Malvin,3TMS,isomer #44COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5322.9Semi standard non polar33892256
Malvin,3TMS,isomer #45COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5288.1Semi standard non polar33892256
Malvin,3TMS,isomer #46COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5344.8Semi standard non polar33892256
Malvin,3TMS,isomer #47COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5322.4Semi standard non polar33892256
Malvin,3TMS,isomer #48COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5286.0Semi standard non polar33892256
Malvin,3TMS,isomer #49COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5342.8Semi standard non polar33892256
Malvin,3TMS,isomer #5COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5267.2Semi standard non polar33892256
Malvin,3TMS,isomer #50COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5296.5Semi standard non polar33892256
Malvin,3TMS,isomer #51COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5325.0Semi standard non polar33892256
Malvin,3TMS,isomer #52COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5353.0Semi standard non polar33892256
Malvin,3TMS,isomer #53COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5317.6Semi standard non polar33892256
Malvin,3TMS,isomer #54COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5369.3Semi standard non polar33892256
Malvin,3TMS,isomer #55COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5335.8Semi standard non polar33892256
Malvin,3TMS,isomer #56COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5307.3Semi standard non polar33892256
Malvin,3TMS,isomer #57COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5268.0Semi standard non polar33892256
Malvin,3TMS,isomer #58COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5321.7Semi standard non polar33892256
Malvin,3TMS,isomer #59COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5356.8Semi standard non polar33892256
Malvin,3TMS,isomer #6COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5315.5Semi standard non polar33892256
Malvin,3TMS,isomer #60COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5319.8Semi standard non polar33892256
Malvin,3TMS,isomer #61COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5373.1Semi standard non polar33892256
Malvin,3TMS,isomer #62COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5300.6Semi standard non polar33892256
Malvin,3TMS,isomer #63COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5381.7Semi standard non polar33892256
Malvin,3TMS,isomer #64COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O5344.9Semi standard non polar33892256
Malvin,3TMS,isomer #65COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5313.4Semi standard non polar33892256
Malvin,3TMS,isomer #66COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5355.1Semi standard non polar33892256
Malvin,3TMS,isomer #67COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5303.9Semi standard non polar33892256
Malvin,3TMS,isomer #68COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5354.7Semi standard non polar33892256
Malvin,3TMS,isomer #69COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5302.5Semi standard non polar33892256
Malvin,3TMS,isomer #7COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C5260.3Semi standard non polar33892256
Malvin,3TMS,isomer #70COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5325.5Semi standard non polar33892256
Malvin,3TMS,isomer #71COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5353.9Semi standard non polar33892256
Malvin,3TMS,isomer #72COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5319.7Semi standard non polar33892256
Malvin,3TMS,isomer #73COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5372.7Semi standard non polar33892256
Malvin,3TMS,isomer #74COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5296.5Semi standard non polar33892256
Malvin,3TMS,isomer #75COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5322.9Semi standard non polar33892256
Malvin,3TMS,isomer #76COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5329.7Semi standard non polar33892256
Malvin,3TMS,isomer #77COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5358.6Semi standard non polar33892256
Malvin,3TMS,isomer #78COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5328.1Semi standard non polar33892256
Malvin,3TMS,isomer #79COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5358.7Semi standard non polar33892256
Malvin,3TMS,isomer #8COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C5325.5Semi standard non polar33892256
Malvin,3TMS,isomer #80COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC(OC)=C1O5374.8Semi standard non polar33892256
Malvin,3TMS,isomer #81COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5279.7Semi standard non polar33892256
Malvin,3TMS,isomer #82COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5311.1Semi standard non polar33892256
Malvin,3TMS,isomer #83COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5329.7Semi standard non polar33892256
Malvin,3TMS,isomer #84COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(OC)=C1O5361.3Semi standard non polar33892256
Malvin,3TMS,isomer #85COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O5385.6Semi standard non polar33892256
Malvin,3TMS,isomer #86COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5257.3Semi standard non polar33892256
Malvin,3TMS,isomer #87COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5303.6Semi standard non polar33892256
Malvin,3TMS,isomer #88COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5245.9Semi standard non polar33892256
Malvin,3TMS,isomer #89COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5303.0Semi standard non polar33892256
Malvin,3TMS,isomer #9COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C5318.1Semi standard non polar33892256
Malvin,3TMS,isomer #90COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O5341.3Semi standard non polar33892256
Malvin,3TMS,isomer #91COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5307.3Semi standard non polar33892256
Malvin,3TMS,isomer #92COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5268.5Semi standard non polar33892256
Malvin,3TMS,isomer #93COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5322.7Semi standard non polar33892256
Malvin,3TMS,isomer #94COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O5332.8Semi standard non polar33892256
Malvin,3TMS,isomer #95COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5280.3Semi standard non polar33892256
Malvin,3TMS,isomer #96COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5309.6Semi standard non polar33892256
Malvin,3TMS,isomer #97COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O5372.9Semi standard non polar33892256
Malvin,3TMS,isomer #98COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC(OC)=C1O5325.5Semi standard non polar33892256
Malvin,3TMS,isomer #99COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(OC)=C1O5324.3Semi standard non polar33892256
Malvin,1TBDMS,isomer #1COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C5917.1Semi standard non polar33892256
Malvin,1TBDMS,isomer #10COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5987.0Semi standard non polar33892256
Malvin,1TBDMS,isomer #2COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5921.1Semi standard non polar33892256
Malvin,1TBDMS,isomer #3COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(OC)=C1O5967.8Semi standard non polar33892256
Malvin,1TBDMS,isomer #4COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O5940.8Semi standard non polar33892256
Malvin,1TBDMS,isomer #5COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O5961.4Semi standard non polar33892256
Malvin,1TBDMS,isomer #6COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5917.4Semi standard non polar33892256
Malvin,1TBDMS,isomer #7COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5967.7Semi standard non polar33892256
Malvin,1TBDMS,isomer #8COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5941.9Semi standard non polar33892256
Malvin,1TBDMS,isomer #9COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5958.5Semi standard non polar33892256
Malvin,2TBDMS,isomer #1COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C5947.1Semi standard non polar33892256
Malvin,2TBDMS,isomer #10COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5923.5Semi standard non polar33892256
Malvin,2TBDMS,isomer #11COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5859.1Semi standard non polar33892256
Malvin,2TBDMS,isomer #12COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5874.3Semi standard non polar33892256
Malvin,2TBDMS,isomer #13COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5843.4Semi standard non polar33892256
Malvin,2TBDMS,isomer #14COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O5877.4Semi standard non polar33892256
Malvin,2TBDMS,isomer #15COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(OC)=C1O5879.6Semi standard non polar33892256
Malvin,2TBDMS,isomer #16COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O5881.6Semi standard non polar33892256
Malvin,2TBDMS,isomer #17COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O5901.2Semi standard non polar33892256
Malvin,2TBDMS,isomer #18COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(OC)=C1O5959.3Semi standard non polar33892256
Malvin,2TBDMS,isomer #19COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(OC)=C1O5876.4Semi standard non polar33892256
Malvin,2TBDMS,isomer #2COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C5877.7Semi standard non polar33892256
Malvin,2TBDMS,isomer #20COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(OC)=C1O5893.3Semi standard non polar33892256
Malvin,2TBDMS,isomer #21COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(OC)=C1O5863.9Semi standard non polar33892256
Malvin,2TBDMS,isomer #22COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(OC)=C1O5893.3Semi standard non polar33892256
Malvin,2TBDMS,isomer #23COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O5881.7Semi standard non polar33892256
Malvin,2TBDMS,isomer #24COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O5907.0Semi standard non polar33892256
Malvin,2TBDMS,isomer #25COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O5927.1Semi standard non polar33892256
Malvin,2TBDMS,isomer #26COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O5843.7Semi standard non polar33892256
Malvin,2TBDMS,isomer #27COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O5861.9Semi standard non polar33892256
Malvin,2TBDMS,isomer #28COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O5831.3Semi standard non polar33892256
Malvin,2TBDMS,isomer #29COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O5861.4Semi standard non polar33892256
Malvin,2TBDMS,isomer #3COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C5911.3Semi standard non polar33892256
Malvin,2TBDMS,isomer #30COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O5915.7Semi standard non polar33892256
Malvin,2TBDMS,isomer #31COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O5952.6Semi standard non polar33892256
Malvin,2TBDMS,isomer #32COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O5879.3Semi standard non polar33892256
Malvin,2TBDMS,isomer #33COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O5895.6Semi standard non polar33892256
Malvin,2TBDMS,isomer #34COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O5863.3Semi standard non polar33892256
Malvin,2TBDMS,isomer #35COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O5899.1Semi standard non polar33892256
Malvin,2TBDMS,isomer #36COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5922.9Semi standard non polar33892256
Malvin,2TBDMS,isomer #37COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5879.1Semi standard non polar33892256
Malvin,2TBDMS,isomer #38COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5882.7Semi standard non polar33892256
Malvin,2TBDMS,isomer #39COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5901.0Semi standard non polar33892256
Malvin,2TBDMS,isomer #4COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C5886.6Semi standard non polar33892256
Malvin,2TBDMS,isomer #40COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5958.8Semi standard non polar33892256
Malvin,2TBDMS,isomer #41COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5882.2Semi standard non polar33892256
Malvin,2TBDMS,isomer #42COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5905.3Semi standard non polar33892256
Malvin,2TBDMS,isomer #43COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5926.4Semi standard non polar33892256
Malvin,2TBDMS,isomer #44COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5915.6Semi standard non polar33892256
Malvin,2TBDMS,isomer #45COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O5950.8Semi standard non polar33892256
Malvin,2TBDMS,isomer #5COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3C=C2OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C5908.7Semi standard non polar33892256
Malvin,2TBDMS,isomer #6COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C5877.4Semi standard non polar33892256
Malvin,2TBDMS,isomer #7COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C5911.9Semi standard non polar33892256
Malvin,2TBDMS,isomer #8COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(OC)=C1O[Si](C)(C)C(C)(C)C5886.1Semi standard non polar33892256
Malvin,2TBDMS,isomer #9COC1=CC(C2=[O+]C3=CC(O)=CC(OC4OC(CO)C(O)C(O)C4O)=C3C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C5909.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (Non-derivatized) - 70eV, Positivesplash10-06rl-5200198000-afe143af9ae9c60ab0f82017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_1_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_1_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Malvin GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvin 10V, Positive-QTOFsplash10-0a4i-0100009000-aec227f7d12e2bcd670e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvin 20V, Positive-QTOFsplash10-0f79-1200009000-2030b1af6672f5d99bd92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvin 40V, Positive-QTOFsplash10-03dm-6900021000-bb0a26a9a11c4e7fe9e92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvin 10V, Negative-QTOFsplash10-0udi-1200009000-3f53e3441e078a393c672016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvin 20V, Negative-QTOFsplash10-0udi-5500009000-0280f0b8365ee7e3f7772016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvin 40V, Negative-QTOFsplash10-0006-9100110000-efd56933b2b74f6000832016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvin 10V, Positive-QTOFsplash10-000i-0000209000-4f84cfc31d375d0bd7662021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvin 20V, Positive-QTOFsplash10-003b-2102359000-617ea8d7fe368ebb42192021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Malvin 40V, Positive-QTOFsplash10-00kb-8606891000-e7d0a657de7cfd4161402021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart 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 IDFDB017211
KNApSAcK IDC00002384
Chemspider ID3056859
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMalvin
METLIN IDNot Available
PubChem Compound3830888
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1699761
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.. .