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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:30:40 UTC
Update Date2022-03-07 02:52:10 UTC
HMDB IDHMDB0029483
Secondary Accession Numbers
  • HMDB29483
Metabolite Identification
Common NameIsotheaflavin
DescriptionIsotheaflavin 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. Based on a literature review very few articles have been published on Isotheaflavin.
Structure
Data?1582753424
Synonyms
ValueSource
NeotheaflavinHMDB
IsotheaflavinHMDB
Chemical FormulaC29H24O12
Average Molecular Weight564.499
Monoisotopic Molecular Weight564.126776213
IUPAC Name3,4,5-trihydroxy-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-6H-benzo[7]annulen-6-one
Traditional Name3,4,5-trihydroxy-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]benzo[7]annulen-6-one
CAS Registry Number31701-93-6
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+/m0/s1
InChI KeyIPMYMEWFZKHGAX-XDPYCTQPSA-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
  • Vinylogous acid
  • 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
Not AvailableNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility399.5 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.22 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
Polarizability54.85 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]-251.11130932474
DeepCCS[M+Na]+225.03330932474
AllCCS[M+H]+223.232859911
AllCCS[M+H-H2O]+221.932859911
AllCCS[M+NH4]+224.432859911
AllCCS[M+Na]+224.832859911
AllCCS[M-H]-216.432859911
AllCCS[M+Na-2H]-217.032859911
AllCCS[M+HCOO]-217.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
IsotheaflavinO[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
IsotheaflavinO[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
IsotheaflavinO[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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,3TMS,isomer #49C[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)C3=C1)O25373.2Semi standard non polar33892256
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,3TMS,isomer #63C[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)C4=C3)OC2=C15426.7Semi standard non polar33892256
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,4TMS,isomer #100C[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[Si](C)(C)C)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15199.3Semi standard non polar33892256
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,4TMS,isomer #106C[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[Si](C)(C)C)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15205.4Semi standard non polar33892256
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,4TMS,isomer #109C[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[Si](C)(C)C)=CC(O)=C6C[C@H]5O)C4=C3)OC2=C15247.5Semi standard non polar33892256
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,4TMS,isomer #81C[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[Si](C)(C)C)=C5C[C@H]4O)C3=C1)O25172.2Semi standard non polar33892256
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,4TMS,isomer #87C[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[Si](C)(C)C)=C5C[C@H]4O)C3=C1)O25171.0Semi standard non polar33892256
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,4TMS,isomer #90C[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[Si](C)(C)C)=C5C[C@H]4O)C3=C1)O25206.0Semi standard non polar33892256
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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
Isotheaflavin,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 - Isotheaflavin GC-MS ("Isotheaflavin,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_1_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isotheaflavin 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 - Isotheaflavin 10V, Positive-QTOFsplash10-014i-0000090000-6b3bc170901de2dad5432021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isotheaflavin 20V, Positive-QTOFsplash10-014j-0202490000-0bfead3ed79bd806ae902021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isotheaflavin 40V, Positive-QTOFsplash10-0002-0509330000-07f9b4437a1a482f1d412021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isotheaflavin 10V, Negative-QTOFsplash10-03di-0000090000-555ac8796d0abe5994462021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isotheaflavin 20V, Negative-QTOFsplash10-03ds-0400090000-b5789e1693c5e3a50fc52021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isotheaflavin 40V, Negative-QTOFsplash10-0uk9-0943360000-c4dd0e0544e1bcff78c92021-09-23Wishart 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 IDFDB000613
KNApSAcK IDC00051007
Chemspider ID103883010
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound154729469
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1809831
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.. .

Enzymes

General function:
Involved in sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of many hormones, neurotransmitters, drugs and xenobiotic compounds. Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Sulfates hydroxysteroids like DHEA. Isoform 1 preferentially sulfonates cholesterol, and isoform 2 avidly sulfonates pregnenolone but not cholesterol.
Gene Name:
SULT2B1
Uniprot ID:
O00204
Molecular weight:
39598.595
Reactions
Isotheaflavin → {5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-1-yl]-3,4-dihydro-2H-1-benzopyran-3-yl}oxidanesulfonic aciddetails
Isotheaflavin → {5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-8-yl]-3,4-dihydro-2H-1-benzopyran-3-yl}oxidanesulfonic aciddetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
Isotheaflavin → 6-{[3,4-dihydroxy-5-oxo-1,8-bis(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Isotheaflavin → 6-({3,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-1-yl]-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Isotheaflavin → 6-({3,5-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-1-yl]-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Isotheaflavin → 6-{[4,6-dihydroxy-5-oxo-1,8-bis(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Isotheaflavin → 6-{[3,6-dihydroxy-5-oxo-1,8-bis(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Isotheaflavin → 6-({3,5-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-8-yl]-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Isotheaflavin → 6-({3,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulen-8-yl]-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic aciddetails