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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2007-01-22 16:34:34 UTC
Update Date2022-03-07 02:49:28 UTC
HMDB IDHMDB0005788
Secondary Accession Numbers
  • HMDB0005787
  • HMDB05787
  • HMDB05788
Metabolite Identification
Common NameTheaflavin
DescriptionTheaflavin, also known as TF, belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Theaflavin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Theaflavin.
Structure
Data?1582752364
Synonyms
ValueSource
(-)-TheaflavinChEBI
1,8-Bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-oneChEBI
3,4,5-Trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzo[7]annulen-6-oneChEBI
TheaflavineChEBI
TFHMDB
TheaflavinHMDB
Chemical FormulaC29H24O12
Average Molecular Weight564.4937
Monoisotopic Molecular Weight564.126776232
IUPAC Name3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-6H-benzo[7]annulen-6-one
Traditional Nametheaflavin
CAS Registry Number4670-05-7
SMILES
O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C2=C(O)C(=O)C=C(C=C12)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2
InChI Identifier
InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1
InChI KeyIPMYMEWFZKHGAX-ZKSIBHASSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavans
Direct ParentCatechins
Alternative Parents
Substituents
  • Catechin
  • 3'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Benzopyran
  • Chromane
  • 1-benzopyran
  • Tropolone
  • Tropone
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Benzenoid
  • Cyclic ketone
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Ether
  • Alcohol
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point1003.90 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility44.99 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP1.165 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.21 g/LALOGPS
logP1.75ALOGPS
logP0.8ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)8.19ChemAxon
pKa (Strongest Basic)3.05ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area217.6 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity146.54 m³·mol⁻¹ChemAxon
Polarizability54.72 ųChemAxon
Number of Rings6ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-249.23130932474
DeepCCS[M+Na]+223.26430932474
AllCCS[M+H]+232.132859911
AllCCS[M+H-H2O]+230.432859911
AllCCS[M+NH4]+233.732859911
AllCCS[M+Na]+234.132859911
AllCCS[M-H]-232.432859911
AllCCS[M+Na-2H]-234.132859911
AllCCS[M+HCOO]-236.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
TheaflavinO[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C2=C(O)C(=O)C=C(C=C12)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C27613.2Standard polar33892256
TheaflavinO[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C2=C(O)C(=O)C=C(C=C12)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C24974.4Standard non polar33892256
TheaflavinO[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C2=C(O)C(=O)C=C(C=C12)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C26083.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Theaflavin,1TMS,isomer #1C[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C125671.3Semi standard non polar33892256
Theaflavin,1TMS,isomer #2C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25642.6Semi standard non polar33892256
Theaflavin,1TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15688.2Semi standard non polar33892256
Theaflavin,1TMS,isomer #4C[Si](C)(C)OC1=C(O)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C15725.6Semi standard non polar33892256
Theaflavin,1TMS,isomer #5C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC(=O)C(O)=C125641.0Semi standard non polar33892256
Theaflavin,1TMS,isomer #6C[Si](C)(C)OC1=C2C(O)=C(O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C2=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=CC1=O5615.6Semi standard non polar33892256
Theaflavin,1TMS,isomer #7C[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(=O)C(O)=C2C(O)=C(O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C2=C15658.5Semi standard non polar33892256
Theaflavin,1TMS,isomer #8C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25638.7Semi standard non polar33892256
Theaflavin,1TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15686.5Semi standard non polar33892256
Theaflavin,2TMS,isomer #1C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25575.0Semi standard non polar33892256
Theaflavin,2TMS,isomer #10C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25586.1Semi standard non polar33892256
Theaflavin,2TMS,isomer #11C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25530.1Semi standard non polar33892256
Theaflavin,2TMS,isomer #12C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C3=C(O[Si](C)(C)C)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25492.1Semi standard non polar33892256
Theaflavin,2TMS,isomer #13C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15553.7Semi standard non polar33892256
Theaflavin,2TMS,isomer #14C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O)C3=C1)O25503.3Semi standard non polar33892256
Theaflavin,2TMS,isomer #15C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25563.2Semi standard non polar33892256
Theaflavin,2TMS,isomer #16C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15630.8Semi standard non polar33892256
Theaflavin,2TMS,isomer #17C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15571.6Semi standard non polar33892256
Theaflavin,2TMS,isomer #18C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15533.0Semi standard non polar33892256
Theaflavin,2TMS,isomer #19C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15596.0Semi standard non polar33892256
Theaflavin,2TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15616.7Semi standard non polar33892256
Theaflavin,2TMS,isomer #20C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15554.6Semi standard non polar33892256
Theaflavin,2TMS,isomer #21C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15609.7Semi standard non polar33892256
Theaflavin,2TMS,isomer #22C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15629.7Semi standard non polar33892256
Theaflavin,2TMS,isomer #23C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25585.6Semi standard non polar33892256
Theaflavin,2TMS,isomer #24C[Si](C)(C)OC1=C(O)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C15630.0Semi standard non polar33892256
Theaflavin,2TMS,isomer #25C[Si](C)(C)OC1=C(O)C2=C(O[Si](C)(C)C)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C15567.4Semi standard non polar33892256
Theaflavin,2TMS,isomer #26C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C15542.5Semi standard non polar33892256
Theaflavin,2TMS,isomer #27C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15570.8Semi standard non polar33892256
Theaflavin,2TMS,isomer #28C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25528.9Semi standard non polar33892256
Theaflavin,2TMS,isomer #29C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC(=O)C(O)=C125579.8Semi standard non polar33892256
Theaflavin,2TMS,isomer #3C[Si](C)(C)OC1=C(O)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C15644.6Semi standard non polar33892256
Theaflavin,2TMS,isomer #30C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC(=O)C(O[Si](C)(C)C)=C125519.9Semi standard non polar33892256
Theaflavin,2TMS,isomer #31C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15531.6Semi standard non polar33892256
Theaflavin,2TMS,isomer #32C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25491.0Semi standard non polar33892256
Theaflavin,2TMS,isomer #33C[Si](C)(C)OC1=C2C(O)=C(O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C2=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC1=O5553.8Semi standard non polar33892256
Theaflavin,2TMS,isomer #34C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25566.2Semi standard non polar33892256
Theaflavin,2TMS,isomer #35C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15607.3Semi standard non polar33892256
Theaflavin,2TMS,isomer #36C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15530.3Semi standard non polar33892256
Theaflavin,2TMS,isomer #4C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC(=O)C(O)=C125591.0Semi standard non polar33892256
Theaflavin,2TMS,isomer #5C[Si](C)(C)OC1=C2C(O)=C(O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)C2=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=CC1=O5564.3Semi standard non polar33892256
Theaflavin,2TMS,isomer #6C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15617.2Semi standard non polar33892256
Theaflavin,2TMS,isomer #7C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25569.9Semi standard non polar33892256
Theaflavin,2TMS,isomer #8C[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(=O)C(O)=C2C(O)=C(O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)C2=C15627.7Semi standard non polar33892256
Theaflavin,2TMS,isomer #9C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15533.4Semi standard non polar33892256
Theaflavin,3TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15397.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #10C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15395.0Semi standard non polar33892256
Theaflavin,3TMS,isomer #11C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15437.8Semi standard non polar33892256
Theaflavin,3TMS,isomer #12C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15415.5Semi standard non polar33892256
Theaflavin,3TMS,isomer #13C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15467.8Semi standard non polar33892256
Theaflavin,3TMS,isomer #14C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15461.2Semi standard non polar33892256
Theaflavin,3TMS,isomer #15C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25434.6Semi standard non polar33892256
Theaflavin,3TMS,isomer #16C[Si](C)(C)OC1=C(O)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C15484.6Semi standard non polar33892256
Theaflavin,3TMS,isomer #17C[Si](C)(C)OC1=C(O)C2=C(O[Si](C)(C)C)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C15411.2Semi standard non polar33892256
Theaflavin,3TMS,isomer #18C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C15434.8Semi standard non polar33892256
Theaflavin,3TMS,isomer #19C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15426.8Semi standard non polar33892256
Theaflavin,3TMS,isomer #2C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O[Si](C)(C)C)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25445.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #20C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25403.2Semi standard non polar33892256
Theaflavin,3TMS,isomer #21C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC(=O)C(O)=C125441.2Semi standard non polar33892256
Theaflavin,3TMS,isomer #22C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC(=O)C(O[Si](C)(C)C)=C125381.8Semi standard non polar33892256
Theaflavin,3TMS,isomer #23C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15396.4Semi standard non polar33892256
Theaflavin,3TMS,isomer #24C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25363.2Semi standard non polar33892256
Theaflavin,3TMS,isomer #25C[Si](C)(C)OC1=C2C(O)=C(O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)C2=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=CC1=O5424.8Semi standard non polar33892256
Theaflavin,3TMS,isomer #26C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)O2)C(O[Si](C)(C)C)=C15390.0Semi standard non polar33892256
Theaflavin,3TMS,isomer #27C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15467.7Semi standard non polar33892256
Theaflavin,3TMS,isomer #28C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25430.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #29C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15364.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #3C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25409.3Semi standard non polar33892256
Theaflavin,3TMS,isomer #30C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15340.8Semi standard non polar33892256
Theaflavin,3TMS,isomer #31C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15332.3Semi standard non polar33892256
Theaflavin,3TMS,isomer #32C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15350.6Semi standard non polar33892256
Theaflavin,3TMS,isomer #33C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15337.9Semi standard non polar33892256
Theaflavin,3TMS,isomer #34C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)O2)C(O[Si](C)(C)C)=C15380.7Semi standard non polar33892256
Theaflavin,3TMS,isomer #35C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25392.6Semi standard non polar33892256
Theaflavin,3TMS,isomer #36C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O)C3=C(O[Si](C)(C)C)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25366.3Semi standard non polar33892256
Theaflavin,3TMS,isomer #37C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15378.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #38C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O)C3=C1)O25362.3Semi standard non polar33892256
Theaflavin,3TMS,isomer #39C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25423.8Semi standard non polar33892256
Theaflavin,3TMS,isomer #4C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C3=C(O[Si](C)(C)C)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25367.6Semi standard non polar33892256
Theaflavin,3TMS,isomer #40C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C3=C(O[Si](C)(C)C)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25346.0Semi standard non polar33892256
Theaflavin,3TMS,isomer #41C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15359.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #42C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O)C3=C1)O25344.0Semi standard non polar33892256
Theaflavin,3TMS,isomer #43C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25393.5Semi standard non polar33892256
Theaflavin,3TMS,isomer #44C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15350.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #45C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O)C3=C1)O25325.7Semi standard non polar33892256
Theaflavin,3TMS,isomer #46C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C3=C(O[Si](C)(C)C)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25355.8Semi standard non polar33892256
Theaflavin,3TMS,isomer #47C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15334.6Semi standard non polar33892256
Theaflavin,3TMS,isomer #48C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15405.9Semi standard non polar33892256
Theaflavin,3TMS,isomer #49C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25373.6Semi standard non polar33892256
Theaflavin,3TMS,isomer #5C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15419.9Semi standard non polar33892256
Theaflavin,3TMS,isomer #50C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15419.8Semi standard non polar33892256
Theaflavin,3TMS,isomer #51C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15390.0Semi standard non polar33892256
Theaflavin,3TMS,isomer #52C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15385.0Semi standard non polar33892256
Theaflavin,3TMS,isomer #53C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15379.4Semi standard non polar33892256
Theaflavin,3TMS,isomer #54C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15450.5Semi standard non polar33892256
Theaflavin,3TMS,isomer #55C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15370.4Semi standard non polar33892256
Theaflavin,3TMS,isomer #56C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15367.2Semi standard non polar33892256
Theaflavin,3TMS,isomer #57C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15360.7Semi standard non polar33892256
Theaflavin,3TMS,isomer #58C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15418.3Semi standard non polar33892256
Theaflavin,3TMS,isomer #59C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15361.2Semi standard non polar33892256
Theaflavin,3TMS,isomer #6C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25383.0Semi standard non polar33892256
Theaflavin,3TMS,isomer #60C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15351.2Semi standard non polar33892256
Theaflavin,3TMS,isomer #61C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15387.0Semi standard non polar33892256
Theaflavin,3TMS,isomer #62C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15350.8Semi standard non polar33892256
Theaflavin,3TMS,isomer #63C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15433.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #64C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15411.8Semi standard non polar33892256
Theaflavin,3TMS,isomer #65C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15358.7Semi standard non polar33892256
Theaflavin,3TMS,isomer #66C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15389.0Semi standard non polar33892256
Theaflavin,3TMS,isomer #67C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15418.5Semi standard non polar33892256
Theaflavin,3TMS,isomer #68C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15446.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #69C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25432.6Semi standard non polar33892256
Theaflavin,3TMS,isomer #7C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25429.6Semi standard non polar33892256
Theaflavin,3TMS,isomer #70C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25365.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #71C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25392.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #72C[Si](C)(C)OC1=C(O)C2=C(O[Si](C)(C)C)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C15397.0Semi standard non polar33892256
Theaflavin,3TMS,isomer #73C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C15419.9Semi standard non polar33892256
Theaflavin,3TMS,isomer #74C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C(O[Si](C)(C)C)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C15381.9Semi standard non polar33892256
Theaflavin,3TMS,isomer #75C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15337.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #76C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15369.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #77C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15413.5Semi standard non polar33892256
Theaflavin,3TMS,isomer #78C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25396.9Semi standard non polar33892256
Theaflavin,3TMS,isomer #79C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25344.1Semi standard non polar33892256
Theaflavin,3TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15458.7Semi standard non polar33892256
Theaflavin,3TMS,isomer #80C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC(=O)C(O[Si](C)(C)C)=C125370.3Semi standard non polar33892256
Theaflavin,3TMS,isomer #81C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15329.8Semi standard non polar33892256
Theaflavin,3TMS,isomer #82C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15385.2Semi standard non polar33892256
Theaflavin,3TMS,isomer #83C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25357.0Semi standard non polar33892256
Theaflavin,3TMS,isomer #84C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15387.2Semi standard non polar33892256
Theaflavin,3TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15424.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #1C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15200.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #10C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25176.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #100C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15204.8Semi standard non polar33892256
Theaflavin,4TMS,isomer #101C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15198.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #102C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15182.8Semi standard non polar33892256
Theaflavin,4TMS,isomer #103C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15164.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #104C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15247.8Semi standard non polar33892256
Theaflavin,4TMS,isomer #105C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15136.4Semi standard non polar33892256
Theaflavin,4TMS,isomer #106C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15212.7Semi standard non polar33892256
Theaflavin,4TMS,isomer #107C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15202.8Semi standard non polar33892256
Theaflavin,4TMS,isomer #108C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15181.2Semi standard non polar33892256
Theaflavin,4TMS,isomer #109C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15254.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #11C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O[Si](C)(C)C)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25249.4Semi standard non polar33892256
Theaflavin,4TMS,isomer #110C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15234.3Semi standard non polar33892256
Theaflavin,4TMS,isomer #111C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15220.2Semi standard non polar33892256
Theaflavin,4TMS,isomer #112C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15195.1Semi standard non polar33892256
Theaflavin,4TMS,isomer #113C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15162.3Semi standard non polar33892256
Theaflavin,4TMS,isomer #114C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15198.5Semi standard non polar33892256
Theaflavin,4TMS,isomer #115C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15273.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #116C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15242.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #117C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15284.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #118C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25219.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #119C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25258.3Semi standard non polar33892256
Theaflavin,4TMS,isomer #12C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C3=C(O[Si](C)(C)C)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25214.7Semi standard non polar33892256
Theaflavin,4TMS,isomer #120C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25239.3Semi standard non polar33892256
Theaflavin,4TMS,isomer #121C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C(O[Si](C)(C)C)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C15292.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #122C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15190.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #123C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15154.2Semi standard non polar33892256
Theaflavin,4TMS,isomer #124C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15241.8Semi standard non polar33892256
Theaflavin,4TMS,isomer #125C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25214.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #126C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15222.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #13C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15198.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #14C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25170.8Semi standard non polar33892256
Theaflavin,4TMS,isomer #15C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25243.7Semi standard non polar33892256
Theaflavin,4TMS,isomer #16C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15229.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #17C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25201.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #18C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O)=C(O)C3=C(O[Si](C)(C)C)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25249.4Semi standard non polar33892256
Theaflavin,4TMS,isomer #19C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C4=C3)O2)C(O[Si](C)(C)C)=C15189.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #2C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15191.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #20C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15263.3Semi standard non polar33892256
Theaflavin,4TMS,isomer #21C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25235.5Semi standard non polar33892256
Theaflavin,4TMS,isomer #22C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15289.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #23C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15244.1Semi standard non polar33892256
Theaflavin,4TMS,isomer #24C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15211.7Semi standard non polar33892256
Theaflavin,4TMS,isomer #25C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15199.5Semi standard non polar33892256
Theaflavin,4TMS,isomer #26C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15271.1Semi standard non polar33892256
Theaflavin,4TMS,isomer #27C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15237.4Semi standard non polar33892256
Theaflavin,4TMS,isomer #28C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15207.1Semi standard non polar33892256
Theaflavin,4TMS,isomer #29C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15194.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #3C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15219.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #30C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15266.3Semi standard non polar33892256
Theaflavin,4TMS,isomer #31C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15245.7Semi standard non polar33892256
Theaflavin,4TMS,isomer #32C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15222.7Semi standard non polar33892256
Theaflavin,4TMS,isomer #33C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15274.5Semi standard non polar33892256
Theaflavin,4TMS,isomer #34C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15213.2Semi standard non polar33892256
Theaflavin,4TMS,isomer #35C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15285.7Semi standard non polar33892256
Theaflavin,4TMS,isomer #36C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15263.5Semi standard non polar33892256
Theaflavin,4TMS,isomer #37C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)O2)C(O[Si](C)(C)C)=C15191.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #38C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15246.5Semi standard non polar33892256
Theaflavin,4TMS,isomer #39C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15290.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #4C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15214.1Semi standard non polar33892256
Theaflavin,4TMS,isomer #40C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15270.1Semi standard non polar33892256
Theaflavin,4TMS,isomer #41C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25247.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #42C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25214.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #43C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25255.8Semi standard non polar33892256
Theaflavin,4TMS,isomer #44C[Si](C)(C)OC1=C(O)C2=C(O[Si](C)(C)C)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C15279.1Semi standard non polar33892256
Theaflavin,4TMS,isomer #45C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C15313.7Semi standard non polar33892256
Theaflavin,4TMS,isomer #46C[Si](C)(C)OC1=C(O[Si](C)(C)C)C2=C(O[Si](C)(C)C)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)=C15299.2Semi standard non polar33892256
Theaflavin,4TMS,isomer #47C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)O2)C(O[Si](C)(C)C)=C15180.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #48C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15240.4Semi standard non polar33892256
Theaflavin,4TMS,isomer #49C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15264.8Semi standard non polar33892256
Theaflavin,4TMS,isomer #5C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15191.7Semi standard non polar33892256
Theaflavin,4TMS,isomer #50C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25242.2Semi standard non polar33892256
Theaflavin,4TMS,isomer #51C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25205.4Semi standard non polar33892256
Theaflavin,4TMS,isomer #52C[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C)C2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C)=CC(=O)C(O[Si](C)(C)C)=C125266.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #53C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)O2)C(O[Si](C)(C)C)=C15213.2Semi standard non polar33892256
Theaflavin,4TMS,isomer #54C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15275.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #55C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C3=C1)O25249.2Semi standard non polar33892256
Theaflavin,4TMS,isomer #56C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C4=C3)O2)C(O[Si](C)(C)C)=C15250.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #57C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15203.5Semi standard non polar33892256
Theaflavin,4TMS,isomer #58C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15165.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #59C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15143.5Semi standard non polar33892256
Theaflavin,4TMS,isomer #6C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)O2)C(O[Si](C)(C)C)=C15251.2Semi standard non polar33892256
Theaflavin,4TMS,isomer #60C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15121.1Semi standard non polar33892256
Theaflavin,4TMS,isomer #61C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)O2)C(O[Si](C)(C)C)=C15187.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #62C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15160.4Semi standard non polar33892256
Theaflavin,4TMS,isomer #63C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15136.8Semi standard non polar33892256
Theaflavin,4TMS,isomer #64C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15114.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #65C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)O2)C(O[Si](C)(C)C)=C15186.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #66C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15182.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #67C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C)=C15165.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #68C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)O2)C(O[Si](C)(C)C)=C15219.4Semi standard non polar33892256
Theaflavin,4TMS,isomer #69C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15139.2Semi standard non polar33892256
Theaflavin,4TMS,isomer #7C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25263.7Semi standard non polar33892256
Theaflavin,4TMS,isomer #70C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15218.4Semi standard non polar33892256
Theaflavin,4TMS,isomer #71C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C=C34)O2)C(O[Si](C)(C)C)=C15195.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #72C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C(O[Si](C)(C)C)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25241.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #73C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15210.5Semi standard non polar33892256
Theaflavin,4TMS,isomer #74C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O)C3=C1)O25189.8Semi standard non polar33892256
Theaflavin,4TMS,isomer #75C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25252.9Semi standard non polar33892256
Theaflavin,4TMS,isomer #76C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15167.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #77C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O)=C(O[Si](C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O)C3=C1)O25147.4Semi standard non polar33892256
Theaflavin,4TMS,isomer #78C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O)C3=C(O[Si](C)(C)C)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25213.4Semi standard non polar33892256
Theaflavin,4TMS,isomer #79C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15119.2Semi standard non polar33892256
Theaflavin,4TMS,isomer #8C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC(O[Si](C)(C)C)=C(O)C3=C(O[Si](C)(C)C)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25222.8Semi standard non polar33892256
Theaflavin,4TMS,isomer #80C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15190.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #81C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25171.1Semi standard non polar33892256
Theaflavin,4TMS,isomer #82C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15163.8Semi standard non polar33892256
Theaflavin,4TMS,isomer #83C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)=C(O)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O)C3=C1)O25144.5Semi standard non polar33892256
Theaflavin,4TMS,isomer #84C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C3=C(O[Si](C)(C)C)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25210.7Semi standard non polar33892256
Theaflavin,4TMS,isomer #85C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15110.5Semi standard non polar33892256
Theaflavin,4TMS,isomer #86C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15192.5Semi standard non polar33892256
Theaflavin,4TMS,isomer #87C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25170.3Semi standard non polar33892256
Theaflavin,4TMS,isomer #88C[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15162.3Semi standard non polar33892256
Theaflavin,4TMS,isomer #89C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C15228.2Semi standard non polar33892256
Theaflavin,4TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O[Si](C)(C)C)C4=C3)OC2=C15202.3Semi standard non polar33892256
Theaflavin,4TMS,isomer #90C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C3=C(O[Si](C)(C)C)C(=O)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C)=C5C[C@H]4O[Si](C)(C)C)C=C13)O25206.1Semi standard non polar33892256
Theaflavin,4TMS,isomer #91C[Si](C)(C)OC1=CC2=C(C[C@@H](O[Si](C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C)=C15195.6Semi standard non polar33892256
Theaflavin,4TMS,isomer #92C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15274.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #93C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15227.1Semi standard non polar33892256
Theaflavin,4TMS,isomer #94C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15212.0Semi standard non polar33892256
Theaflavin,4TMS,isomer #95C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15288.2Semi standard non polar33892256
Theaflavin,4TMS,isomer #96C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C)=C4C(O)=C(O[Si](C)(C)C)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15191.5Semi standard non polar33892256
Theaflavin,4TMS,isomer #97C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15169.4Semi standard non polar33892256
Theaflavin,4TMS,isomer #98C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O[Si](C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C)C=C34)OC2=C15247.7Semi standard non polar33892256
Theaflavin,4TMS,isomer #99C[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C6C[C@H]5O)C=C34)OC2=C15143.4Semi standard non polar33892256
Theaflavin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C125888.0Semi standard non polar33892256
Theaflavin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25868.5Semi standard non polar33892256
Theaflavin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C15886.8Semi standard non polar33892256
Theaflavin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C(O)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C15944.8Semi standard non polar33892256
Theaflavin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC(=O)C(O)=C125896.3Semi standard non polar33892256
Theaflavin,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=C2C(O)=C(O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C2=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=CC1=O5852.3Semi standard non polar33892256
Theaflavin,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(=O)C(O)=C2C(O)=C(O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C2=C15870.2Semi standard non polar33892256
Theaflavin,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25865.4Semi standard non polar33892256
Theaflavin,1TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15884.1Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC(O)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O26034.7Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O26038.6Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O26005.8Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C3=C(O[Si](C)(C)C(C)(C)C)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C=C13)O25976.0Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C6C[C@H]5O)C4=C3)OC2=C16003.8Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C5C[C@H]4O)C3=C1)O25974.4Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(O)=C(O)C3=C(O)C(=O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C(C)(C)C)C=C13)O26012.9Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C16077.9Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C16044.8Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O[Si](C)(C)C(C)(C)C)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C16006.0Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C16029.2Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)OC2=C16050.0Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C6C[C@H]5O)C=C34)OC2=C16004.5Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C(C)(C)C)C=C34)OC2=C16038.5Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O[Si](C)(C)C(C)(C)C)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C16076.1Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O[Si](C)(C)C(C)(C)C)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O26037.0Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=C(O)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C16075.2Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=C(O)C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C16043.7Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=C(O[Si](C)(C)C(C)(C)C)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=C16028.3Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O[Si](C)(C)C(C)(C)C)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C16044.7Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O[Si](C)(C)C(C)(C)C)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O26005.1Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)=CC(=O)C(O)=C126040.8Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C(O)C2=C(O)C(=O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C2C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)=C16091.8Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)C2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C126018.8Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C16004.8Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O[Si](C)(C)C(C)(C)C)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O25975.4Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=C2C(O)=C(O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C2=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)=CC1=O6005.0Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O)C3=C1)O26020.4Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C16036.7Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C4=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C15990.1Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C(O)C=C([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O[Si](C)(C)C(C)(C)C)C2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC(=O)C(O)=C126056.1Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=C2C(O)=C(O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)C2=CC([C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)=CC1=O6019.1Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@@H](O)[C@@H](C3=CC(=O)C(O)=C4C(O)=C(O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O[Si](C)(C)C(C)(C)C)C4=C3)OC2=C16054.1Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@@H](O)[C@@H](C1=CC(=O)C(O)=C3C(O)=C(O)C=C([C@H]4OC5=CC(O)=CC(O)=C5C[C@H]4O[Si](C)(C)C(C)(C)C)C3=C1)O26029.5Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(=O)C(O)=C2C(O)=C(O)C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O[Si](C)(C)C(C)(C)C)C2=C16053.8Semi standard non polar33892256
Theaflavin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C4=C(O)C(=O)C=C([C@H]5OC6=CC(O)=CC(O)=C6C[C@H]5O)C=C34)O2)C(O[Si](C)(C)C(C)(C)C)=C15990.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS ("Theaflavin,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_1_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Theaflavin GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Theaflavin 10V, Positive-QTOFsplash10-014s-0400090000-7757333be2724a0342482019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Theaflavin 20V, Positive-QTOFsplash10-000i-0901040000-a387cc71894fdd3a9dfb2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Theaflavin 40V, Positive-QTOFsplash10-00di-1901110000-e809cc879991e75b56252019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Theaflavin 10V, Negative-QTOFsplash10-03di-0000090000-660f0de017d92f6302ec2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Theaflavin 20V, Negative-QTOFsplash10-002r-0302590000-645ebf3495cdef4608ae2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Theaflavin 40V, Negative-QTOFsplash10-004i-1900020000-5953f1db2f7acae49e002019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Theaflavin 10V, Negative-QTOFsplash10-03di-0000090000-555ac8796d0abe5994462021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Theaflavin 20V, Negative-QTOFsplash10-03ds-0400090000-b5789e1693c5e3a50fc52021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Theaflavin 40V, Negative-QTOFsplash10-0uk9-0943360000-c4dd0e0544e1bcff78c92021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Theaflavin 10V, Positive-QTOFsplash10-014i-0000090000-6b3bc170901de2dad5432021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Theaflavin 20V, Positive-QTOFsplash10-014j-0202490000-0bfead3ed79bd806ae902021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Theaflavin 40V, Positive-QTOFsplash10-0002-0509330000-07f9b4437a1a482f1d412021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen Locations
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableConsuming polyphenols described by Phenol-Explorer entry 133 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDC00009348
Chemspider ID102754
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTheaflavin
METLIN IDNot Available
PubChem Compound114777
PDB IDNot Available
ChEBI ID136609
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1667571
References
Synthesis ReferenceTanaka, Takashi; Betsumiya, Yayoi; Mine, Chie; Kouno, Isao. Theanaphthoquinone, a novel pigment oxidatively derived from theaflavin during tea-fermentation. Chemical Communications (Cambridge) (2000), (15), 1365-1366.
Material Safety Data Sheet (MSDS)Download (PDF)
General ReferencesNot Available