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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:37:58 UTC
Update Date2022-03-07 02:52:37 UTC
HMDB IDHMDB0030614
Secondary Accession Numbers
  • HMDB30614
Metabolite Identification
Common NameOrientin
DescriptionOrientin belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Orientin has been detected, but not quantified in, several different foods, such as cucumbers (Cucumis sativus), ryes (Secale cereale), herbs and spices, barleys (Hordeum vulgare), and tamarinds (Tamarindus indica). This could make orientin a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Orientin.
Structure
Data?1563862012
Synonyms
ValueSource
OrientineMeSH
8-C-beta-Glucopyranosyl-3',4',5,7-tetrahydroxyflav-2-en-3-oneMeSH
Luteolin 8-C-beta-D-glucopyranosideMeSH
Luteolin-8-c-glucosideMeSH
8-b-D-Glucopyranosyl-3',4',5,7-tetrahydroxyflavoneHMDB
8-b-D-GlucopyranosylluteolinHMDB
8-beta-D-GlucosylluteolinHMDB
8-GlucosylluteolinHMDB
Luteolin 8-C-glucosideHMDB
Luteolin 8-glucosideHMDB
Luteolin-8-glucosideHMDB
LutexinHMDB
OrientinMeSH
Chemical FormulaC21H20O11
Average Molecular Weight448.3769
Monoisotopic Molecular Weight448.100561482
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
Traditional Nameorientin
CAS Registry Number28608-75-5
SMILES
OCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC(O)=C(O)C=C1
InChI Identifier
InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2
InChI KeyPLAPMLGJVGLZOV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid 8-C-glycosides
Alternative Parents
Substituents
  • Flavonoid-8-c-glycoside
  • Hydroxyflavonoid
  • 3'-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavone
  • Phenolic glycoside
  • Hexose monosaccharide
  • Glycosyl compound
  • C-glycosyl compound
  • Chromone
  • 1-benzopyran
  • Benzopyran
  • Catechol
  • Phenol
  • Pyranone
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Monosaccharide
  • Oxane
  • Vinylogous acid
  • Heteroaromatic compound
  • Secondary alcohol
  • Ether
  • Dialkyl ether
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point265 - 267 °CNot Available
Boiling Point816.10 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility7989 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP1.580 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.18 g/LALOGPS
logP0.34ALOGPS
logP-0.35ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)6.2ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area197.37 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity108.01 m³·mol⁻¹ChemAxon
Polarizability42.33 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+201.49731661259
DarkChem[M-H]-195.90731661259
DeepCCS[M+H]+199.38830932474
DeepCCS[M-H]-196.99230932474
DeepCCS[M-2H]-229.87630932474
DeepCCS[M+Na]+205.30130932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
OrientinOCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC(O)=C(O)C=C15662.7Standard polar33892256
OrientinOCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC(O)=C(O)C=C13812.6Standard non polar33892256
OrientinOCC1OC(C(O)C(O)C1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC(O)=C(O)C=C14548.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Orientin,1TMS,isomer #1C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O4487.1Semi standard non polar33892256
Orientin,1TMS,isomer #2C[Si](C)(C)OC1C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)OC(CO)C(O)C1O4509.8Semi standard non polar33892256
Orientin,1TMS,isomer #3C[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C1O4550.0Semi standard non polar33892256
Orientin,1TMS,isomer #4C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C1O4525.8Semi standard non polar33892256
Orientin,1TMS,isomer #5C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O)C1O4522.3Semi standard non polar33892256
Orientin,1TMS,isomer #6C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24524.4Semi standard non polar33892256
Orientin,1TMS,isomer #7C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4562.1Semi standard non polar33892256
Orientin,1TMS,isomer #8C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4558.5Semi standard non polar33892256
Orientin,2TMS,isomer #1C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O4420.4Semi standard non polar33892256
Orientin,2TMS,isomer #10C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4457.4Semi standard non polar33892256
Orientin,2TMS,isomer #11C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4429.0Semi standard non polar33892256
Orientin,2TMS,isomer #12C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C1O4418.8Semi standard non polar33892256
Orientin,2TMS,isomer #13C[Si](C)(C)OC1C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)OC(CO)C(O)C1O[Si](C)(C)C4435.4Semi standard non polar33892256
Orientin,2TMS,isomer #14C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C1O[Si](C)(C)C4424.9Semi standard non polar33892256
Orientin,2TMS,isomer #15C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O4448.3Semi standard non polar33892256
Orientin,2TMS,isomer #16C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24483.9Semi standard non polar33892256
Orientin,2TMS,isomer #17C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4460.1Semi standard non polar33892256
Orientin,2TMS,isomer #18C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4438.1Semi standard non polar33892256
Orientin,2TMS,isomer #19C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O4442.0Semi standard non polar33892256
Orientin,2TMS,isomer #2C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O4455.9Semi standard non polar33892256
Orientin,2TMS,isomer #20C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24476.6Semi standard non polar33892256
Orientin,2TMS,isomer #21C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O4459.2Semi standard non polar33892256
Orientin,2TMS,isomer #22C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O4434.1Semi standard non polar33892256
Orientin,2TMS,isomer #23C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O)C1O4487.9Semi standard non polar33892256
Orientin,2TMS,isomer #24C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4492.7Semi standard non polar33892256
Orientin,2TMS,isomer #25C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4468.7Semi standard non polar33892256
Orientin,2TMS,isomer #26C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4531.4Semi standard non polar33892256
Orientin,2TMS,isomer #27C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4511.3Semi standard non polar33892256
Orientin,2TMS,isomer #28C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4451.7Semi standard non polar33892256
Orientin,2TMS,isomer #3C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O)C1O4453.8Semi standard non polar33892256
Orientin,2TMS,isomer #4C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O4436.2Semi standard non polar33892256
Orientin,2TMS,isomer #5C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O4392.1Semi standard non polar33892256
Orientin,2TMS,isomer #6C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4418.7Semi standard non polar33892256
Orientin,2TMS,isomer #7C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4402.6Semi standard non polar33892256
Orientin,2TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C4436.0Semi standard non polar33892256
Orientin,2TMS,isomer #9C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24469.3Semi standard non polar33892256
Orientin,3TMS,isomer #1C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O4292.7Semi standard non polar33892256
Orientin,3TMS,isomer #10C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4294.7Semi standard non polar33892256
Orientin,3TMS,isomer #11C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4289.6Semi standard non polar33892256
Orientin,3TMS,isomer #12C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O4274.5Semi standard non polar33892256
Orientin,3TMS,isomer #13C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O4248.9Semi standard non polar33892256
Orientin,3TMS,isomer #14C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4267.9Semi standard non polar33892256
Orientin,3TMS,isomer #15C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4266.5Semi standard non polar33892256
Orientin,3TMS,isomer #16C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O4233.2Semi standard non polar33892256
Orientin,3TMS,isomer #17C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4245.6Semi standard non polar33892256
Orientin,3TMS,isomer #18C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4247.3Semi standard non polar33892256
Orientin,3TMS,isomer #19C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4268.3Semi standard non polar33892256
Orientin,3TMS,isomer #2C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O)C1O4263.3Semi standard non polar33892256
Orientin,3TMS,isomer #20C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4275.3Semi standard non polar33892256
Orientin,3TMS,isomer #21C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4278.6Semi standard non polar33892256
Orientin,3TMS,isomer #22C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C4300.6Semi standard non polar33892256
Orientin,3TMS,isomer #23C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4271.9Semi standard non polar33892256
Orientin,3TMS,isomer #24C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4248.1Semi standard non polar33892256
Orientin,3TMS,isomer #25C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4291.4Semi standard non polar33892256
Orientin,3TMS,isomer #26C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4296.9Semi standard non polar33892256
Orientin,3TMS,isomer #27C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24313.2Semi standard non polar33892256
Orientin,3TMS,isomer #28C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24320.3Semi standard non polar33892256
Orientin,3TMS,isomer #29C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4299.8Semi standard non polar33892256
Orientin,3TMS,isomer #3C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O4245.9Semi standard non polar33892256
Orientin,3TMS,isomer #30C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4268.3Semi standard non polar33892256
Orientin,3TMS,isomer #31C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4285.3Semi standard non polar33892256
Orientin,3TMS,isomer #32C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O4286.1Semi standard non polar33892256
Orientin,3TMS,isomer #33C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4293.3Semi standard non polar33892256
Orientin,3TMS,isomer #34C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4258.4Semi standard non polar33892256
Orientin,3TMS,isomer #35C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O4259.0Semi standard non polar33892256
Orientin,3TMS,isomer #36C[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4321.9Semi standard non polar33892256
Orientin,3TMS,isomer #37C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4301.6Semi standard non polar33892256
Orientin,3TMS,isomer #38C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24322.0Semi standard non polar33892256
Orientin,3TMS,isomer #39C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4296.9Semi standard non polar33892256
Orientin,3TMS,isomer #4C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O4257.5Semi standard non polar33892256
Orientin,3TMS,isomer #40C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4264.5Semi standard non polar33892256
Orientin,3TMS,isomer #41C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O4275.7Semi standard non polar33892256
Orientin,3TMS,isomer #42C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4246.7Semi standard non polar33892256
Orientin,3TMS,isomer #43C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4222.2Semi standard non polar33892256
Orientin,3TMS,isomer #44C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4274.3Semi standard non polar33892256
Orientin,3TMS,isomer #45C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4246.6Semi standard non polar33892256
Orientin,3TMS,isomer #46C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C4284.0Semi standard non polar33892256
Orientin,3TMS,isomer #47C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O4306.5Semi standard non polar33892256
Orientin,3TMS,isomer #48C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O4273.1Semi standard non polar33892256
Orientin,3TMS,isomer #49C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O4250.5Semi standard non polar33892256
Orientin,3TMS,isomer #5C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4263.5Semi standard non polar33892256
Orientin,3TMS,isomer #50C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O4301.0Semi standard non polar33892256
Orientin,3TMS,isomer #51C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O4272.1Semi standard non polar33892256
Orientin,3TMS,isomer #52C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4293.9Semi standard non polar33892256
Orientin,3TMS,isomer #53C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4311.7Semi standard non polar33892256
Orientin,3TMS,isomer #54C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4284.9Semi standard non polar33892256
Orientin,3TMS,isomer #55C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4310.3Semi standard non polar33892256
Orientin,3TMS,isomer #56C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4348.1Semi standard non polar33892256
Orientin,3TMS,isomer #6C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4267.5Semi standard non polar33892256
Orientin,3TMS,isomer #7C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O)C1O4306.2Semi standard non polar33892256
Orientin,3TMS,isomer #8C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O4282.2Semi standard non polar33892256
Orientin,3TMS,isomer #9C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O4280.1Semi standard non polar33892256
Orientin,4TMS,isomer #1C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O)C1O4114.2Semi standard non polar33892256
Orientin,4TMS,isomer #10C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O4080.8Semi standard non polar33892256
Orientin,4TMS,isomer #11C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4075.4Semi standard non polar33892256
Orientin,4TMS,isomer #12C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4096.4Semi standard non polar33892256
Orientin,4TMS,isomer #13C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4144.9Semi standard non polar33892256
Orientin,4TMS,isomer #14C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4165.6Semi standard non polar33892256
Orientin,4TMS,isomer #15C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4159.0Semi standard non polar33892256
Orientin,4TMS,isomer #16C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O4180.3Semi standard non polar33892256
Orientin,4TMS,isomer #17C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O4116.5Semi standard non polar33892256
Orientin,4TMS,isomer #18C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4116.6Semi standard non polar33892256
Orientin,4TMS,isomer #19C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4136.5Semi standard non polar33892256
Orientin,4TMS,isomer #2C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O4094.6Semi standard non polar33892256
Orientin,4TMS,isomer #20C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O4097.7Semi standard non polar33892256
Orientin,4TMS,isomer #21C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4098.5Semi standard non polar33892256
Orientin,4TMS,isomer #22C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4115.1Semi standard non polar33892256
Orientin,4TMS,isomer #23C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4161.7Semi standard non polar33892256
Orientin,4TMS,isomer #24C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4177.7Semi standard non polar33892256
Orientin,4TMS,isomer #25C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4175.5Semi standard non polar33892256
Orientin,4TMS,isomer #26C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O4163.7Semi standard non polar33892256
Orientin,4TMS,isomer #27C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4150.8Semi standard non polar33892256
Orientin,4TMS,isomer #28C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4172.1Semi standard non polar33892256
Orientin,4TMS,isomer #29C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4131.4Semi standard non polar33892256
Orientin,4TMS,isomer #3C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O4157.7Semi standard non polar33892256
Orientin,4TMS,isomer #30C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4149.9Semi standard non polar33892256
Orientin,4TMS,isomer #31C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4148.0Semi standard non polar33892256
Orientin,4TMS,isomer #32C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4114.6Semi standard non polar33892256
Orientin,4TMS,isomer #33C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4134.7Semi standard non polar33892256
Orientin,4TMS,isomer #34C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4130.4Semi standard non polar33892256
Orientin,4TMS,isomer #35C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4204.9Semi standard non polar33892256
Orientin,4TMS,isomer #36C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4120.2Semi standard non polar33892256
Orientin,4TMS,isomer #37C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4097.8Semi standard non polar33892256
Orientin,4TMS,isomer #38C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4158.1Semi standard non polar33892256
Orientin,4TMS,isomer #39C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4158.2Semi standard non polar33892256
Orientin,4TMS,isomer #4C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4140.3Semi standard non polar33892256
Orientin,4TMS,isomer #40C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4101.3Semi standard non polar33892256
Orientin,4TMS,isomer #41C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O4107.0Semi standard non polar33892256
Orientin,4TMS,isomer #42C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4159.1Semi standard non polar33892256
Orientin,4TMS,isomer #43C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4080.2Semi standard non polar33892256
Orientin,4TMS,isomer #44C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O4085.8Semi standard non polar33892256
Orientin,4TMS,isomer #45C[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4185.6Semi standard non polar33892256
Orientin,4TMS,isomer #46C[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24206.7Semi standard non polar33892256
Orientin,4TMS,isomer #47C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4117.4Semi standard non polar33892256
Orientin,4TMS,isomer #48C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4097.7Semi standard non polar33892256
Orientin,4TMS,isomer #49C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O4127.8Semi standard non polar33892256
Orientin,4TMS,isomer #5C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4163.5Semi standard non polar33892256
Orientin,4TMS,isomer #50C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O4106.4Semi standard non polar33892256
Orientin,4TMS,isomer #51C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4183.0Semi standard non polar33892256
Orientin,4TMS,isomer #52C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O4173.3Semi standard non polar33892256
Orientin,4TMS,isomer #53C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4172.4Semi standard non polar33892256
Orientin,4TMS,isomer #54C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4180.2Semi standard non polar33892256
Orientin,4TMS,isomer #55C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O4148.5Semi standard non polar33892256
Orientin,4TMS,isomer #56C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4156.1Semi standard non polar33892256
Orientin,4TMS,isomer #57C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4104.1Semi standard non polar33892256
Orientin,4TMS,isomer #58C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4082.8Semi standard non polar33892256
Orientin,4TMS,isomer #59C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4125.0Semi standard non polar33892256
Orientin,4TMS,isomer #6C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O4154.3Semi standard non polar33892256
Orientin,4TMS,isomer #60C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4103.5Semi standard non polar33892256
Orientin,4TMS,isomer #61C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C4173.2Semi standard non polar33892256
Orientin,4TMS,isomer #62C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4126.2Semi standard non polar33892256
Orientin,4TMS,isomer #63C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4098.5Semi standard non polar33892256
Orientin,4TMS,isomer #64C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C4121.5Semi standard non polar33892256
Orientin,4TMS,isomer #65C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C4144.5Semi standard non polar33892256
Orientin,4TMS,isomer #66C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O4114.0Semi standard non polar33892256
Orientin,4TMS,isomer #67C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O4092.9Semi standard non polar33892256
Orientin,4TMS,isomer #68C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4150.3Semi standard non polar33892256
Orientin,4TMS,isomer #69C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4171.0Semi standard non polar33892256
Orientin,4TMS,isomer #7C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O4098.2Semi standard non polar33892256
Orientin,4TMS,isomer #70C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4197.3Semi standard non polar33892256
Orientin,4TMS,isomer #8C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4088.5Semi standard non polar33892256
Orientin,4TMS,isomer #9C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4117.4Semi standard non polar33892256
Orientin,5TMS,isomer #1C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O4043.0Semi standard non polar33892256
Orientin,5TMS,isomer #10C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4059.9Semi standard non polar33892256
Orientin,5TMS,isomer #11C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O4034.3Semi standard non polar33892256
Orientin,5TMS,isomer #12C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4045.0Semi standard non polar33892256
Orientin,5TMS,isomer #13C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4044.8Semi standard non polar33892256
Orientin,5TMS,isomer #14C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4013.5Semi standard non polar33892256
Orientin,5TMS,isomer #15C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4030.8Semi standard non polar33892256
Orientin,5TMS,isomer #16C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4025.5Semi standard non polar33892256
Orientin,5TMS,isomer #17C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3996.4Semi standard non polar33892256
Orientin,5TMS,isomer #18C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4012.6Semi standard non polar33892256
Orientin,5TMS,isomer #19C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4010.3Semi standard non polar33892256
Orientin,5TMS,isomer #2C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O3993.5Semi standard non polar33892256
Orientin,5TMS,isomer #20C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4116.7Semi standard non polar33892256
Orientin,5TMS,isomer #21C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O4045.7Semi standard non polar33892256
Orientin,5TMS,isomer #22C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4055.6Semi standard non polar33892256
Orientin,5TMS,isomer #23C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4059.4Semi standard non polar33892256
Orientin,5TMS,isomer #24C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4024.7Semi standard non polar33892256
Orientin,5TMS,isomer #25C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4040.9Semi standard non polar33892256
Orientin,5TMS,isomer #26C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4036.4Semi standard non polar33892256
Orientin,5TMS,isomer #27C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4006.1Semi standard non polar33892256
Orientin,5TMS,isomer #28C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4021.5Semi standard non polar33892256
Orientin,5TMS,isomer #29C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4021.4Semi standard non polar33892256
Orientin,5TMS,isomer #3C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4058.1Semi standard non polar33892256
Orientin,5TMS,isomer #30C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4129.8Semi standard non polar33892256
Orientin,5TMS,isomer #31C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4085.0Semi standard non polar33892256
Orientin,5TMS,isomer #32C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4108.1Semi standard non polar33892256
Orientin,5TMS,isomer #33C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4097.3Semi standard non polar33892256
Orientin,5TMS,isomer #34C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4100.8Semi standard non polar33892256
Orientin,5TMS,isomer #35C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4082.5Semi standard non polar33892256
Orientin,5TMS,isomer #36C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4018.1Semi standard non polar33892256
Orientin,5TMS,isomer #37C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O4020.3Semi standard non polar33892256
Orientin,5TMS,isomer #38C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4067.1Semi standard non polar33892256
Orientin,5TMS,isomer #39C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O3999.9Semi standard non polar33892256
Orientin,5TMS,isomer #4C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C4005.3Semi standard non polar33892256
Orientin,5TMS,isomer #40C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O4001.9Semi standard non polar33892256
Orientin,5TMS,isomer #41C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4071.7Semi standard non polar33892256
Orientin,5TMS,isomer #42C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O4035.7Semi standard non polar33892256
Orientin,5TMS,isomer #43C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4052.2Semi standard non polar33892256
Orientin,5TMS,isomer #44C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4055.4Semi standard non polar33892256
Orientin,5TMS,isomer #45C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O4020.7Semi standard non polar33892256
Orientin,5TMS,isomer #46C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O4045.4Semi standard non polar33892256
Orientin,5TMS,isomer #47C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O4029.1Semi standard non polar33892256
Orientin,5TMS,isomer #48C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4067.9Semi standard non polar33892256
Orientin,5TMS,isomer #49C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4069.0Semi standard non polar33892256
Orientin,5TMS,isomer #5C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O3978.8Semi standard non polar33892256
Orientin,5TMS,isomer #50C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4115.9Semi standard non polar33892256
Orientin,5TMS,isomer #51C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4017.6Semi standard non polar33892256
Orientin,5TMS,isomer #52C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4001.7Semi standard non polar33892256
Orientin,5TMS,isomer #53C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C4055.8Semi standard non polar33892256
Orientin,5TMS,isomer #54C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C4067.8Semi standard non polar33892256
Orientin,5TMS,isomer #55C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C4071.1Semi standard non polar33892256
Orientin,5TMS,isomer #56C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4062.9Semi standard non polar33892256
Orientin,5TMS,isomer #6C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4042.6Semi standard non polar33892256
Orientin,5TMS,isomer #7C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C3990.7Semi standard non polar33892256
Orientin,5TMS,isomer #8C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4048.0Semi standard non polar33892256
Orientin,5TMS,isomer #9C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4075.2Semi standard non polar33892256
Orientin,6TMS,isomer #1C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O3991.5Semi standard non polar33892256
Orientin,6TMS,isomer #10C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4019.8Semi standard non polar33892256
Orientin,6TMS,isomer #11C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4000.3Semi standard non polar33892256
Orientin,6TMS,isomer #12C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4027.9Semi standard non polar33892256
Orientin,6TMS,isomer #13C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4019.6Semi standard non polar33892256
Orientin,6TMS,isomer #14C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4013.9Semi standard non polar33892256
Orientin,6TMS,isomer #15C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3999.2Semi standard non polar33892256
Orientin,6TMS,isomer #16C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4006.5Semi standard non polar33892256
Orientin,6TMS,isomer #17C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4031.9Semi standard non polar33892256
Orientin,6TMS,isomer #18C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4025.9Semi standard non polar33892256
Orientin,6TMS,isomer #19C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4020.9Semi standard non polar33892256
Orientin,6TMS,isomer #2C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O4016.7Semi standard non polar33892256
Orientin,6TMS,isomer #20C[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4004.6Semi standard non polar33892256
Orientin,6TMS,isomer #21C[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4095.7Semi standard non polar33892256
Orientin,6TMS,isomer #22C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O3977.0Semi standard non polar33892256
Orientin,6TMS,isomer #23C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4007.1Semi standard non polar33892256
Orientin,6TMS,isomer #24C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C3996.0Semi standard non polar33892256
Orientin,6TMS,isomer #25C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O3956.8Semi standard non polar33892256
Orientin,6TMS,isomer #26C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4036.1Semi standard non polar33892256
Orientin,6TMS,isomer #27C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4047.0Semi standard non polar33892256
Orientin,6TMS,isomer #28C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C3996.4Semi standard non polar33892256
Orientin,6TMS,isomer #3C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C3994.2Semi standard non polar33892256
Orientin,6TMS,isomer #4C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3959.0Semi standard non polar33892256
Orientin,6TMS,isomer #5C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3983.2Semi standard non polar33892256
Orientin,6TMS,isomer #6C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3975.5Semi standard non polar33892256
Orientin,6TMS,isomer #7C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3945.3Semi standard non polar33892256
Orientin,6TMS,isomer #8C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3971.1Semi standard non polar33892256
Orientin,6TMS,isomer #9C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3962.0Semi standard non polar33892256
Orientin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O4753.7Semi standard non polar33892256
Orientin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)OC(CO)C(O)C1O4809.4Semi standard non polar33892256
Orientin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C1O4822.0Semi standard non polar33892256
Orientin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C1O4801.1Semi standard non polar33892256
Orientin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O)C1O4768.0Semi standard non polar33892256
Orientin,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24774.8Semi standard non polar33892256
Orientin,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4808.3Semi standard non polar33892256
Orientin,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4811.4Semi standard non polar33892256
Orientin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O4916.9Semi standard non polar33892256
Orientin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O4959.2Semi standard non polar33892256
Orientin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)=CC=C1O4924.7Semi standard non polar33892256
Orientin,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C1O4945.9Semi standard non polar33892256
Orientin,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C4953.8Semi standard non polar33892256
Orientin,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C1O[Si](C)(C)C(C)(C)C4931.9Semi standard non polar33892256
Orientin,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4931.3Semi standard non polar33892256
Orientin,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24964.0Semi standard non polar33892256
Orientin,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O4948.8Semi standard non polar33892256
Orientin,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)=CC=C1O4914.0Semi standard non polar33892256
Orientin,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4921.8Semi standard non polar33892256
Orientin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O4943.3Semi standard non polar33892256
Orientin,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24952.7Semi standard non polar33892256
Orientin,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O4931.9Semi standard non polar33892256
Orientin,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)=CC=C1O4897.1Semi standard non polar33892256
Orientin,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O)C1O4941.5Semi standard non polar33892256
Orientin,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4950.9Semi standard non polar33892256
Orientin,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4920.6Semi standard non polar33892256
Orientin,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4989.5Semi standard non polar33892256
Orientin,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4960.1Semi standard non polar33892256
Orientin,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C4921.7Semi standard non polar33892256
Orientin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC3=O)C(O)C(O)C1O4940.0Semi standard non polar33892256
Orientin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC3=O)C(O)C(O)C1O4908.1Semi standard non polar33892256
Orientin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4915.8Semi standard non polar33892256
Orientin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4931.1Semi standard non polar33892256
Orientin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4905.7Semi standard non polar33892256
Orientin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4941.5Semi standard non polar33892256
Orientin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24974.9Semi standard non polar33892256
Orientin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O4983.0Semi standard non polar33892256
Orientin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4987.2Semi standard non polar33892256
Orientin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4963.3Semi standard non polar33892256
Orientin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=CC3=O)C(O)C(O)C1O4977.2Semi standard non polar33892256
Orientin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4963.7Semi standard non polar33892256
Orientin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4974.5Semi standard non polar33892256
Orientin,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4950.8Semi standard non polar33892256
Orientin,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4926.1Semi standard non polar33892256
Orientin,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4936.4Semi standard non polar33892256
Orientin,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4913.7Semi standard non polar33892256
Orientin,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4940.7Semi standard non polar33892256
Orientin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC3=O)C(O)C(O)C1O4998.7Semi standard non polar33892256
Orientin,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4958.8Semi standard non polar33892256
Orientin,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4943.6Semi standard non polar33892256
Orientin,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4981.4Semi standard non polar33892256
Orientin,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O4991.0Semi standard non polar33892256
Orientin,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)=CC=C1O4947.5Semi standard non polar33892256
Orientin,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4961.8Semi standard non polar33892256
Orientin,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4958.5Semi standard non polar33892256
Orientin,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24987.1Semi standard non polar33892256
Orientin,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24984.9Semi standard non polar33892256
Orientin,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O5020.6Semi standard non polar33892256
Orientin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC3=O)C(O)C(O)C1O4952.9Semi standard non polar33892256
Orientin,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)=CC=C1O4972.9Semi standard non polar33892256
Orientin,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O4964.9Semi standard non polar33892256
Orientin,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O4972.8Semi standard non polar33892256
Orientin,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O[Si](C)(C)C(C)(C)C4979.4Semi standard non polar33892256
Orientin,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)=CC=C1O4923.3Semi standard non polar33892256
Orientin,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=C3O2)=CC=C1O4932.4Semi standard non polar33892256
Orientin,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4971.5Semi standard non polar33892256
Orientin,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4936.5Semi standard non polar33892256
Orientin,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC1=CC(O)=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O24962.9Semi standard non polar33892256
Orientin,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O4942.8Semi standard non polar33892256
Orientin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4951.6Semi standard non polar33892256
Orientin,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)=CC=C1O4903.8Semi standard non polar33892256
Orientin,3TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4974.2Semi standard non polar33892256
Orientin,3TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O4981.8Semi standard non polar33892256
Orientin,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)=CC=C1O4936.7Semi standard non polar33892256
Orientin,3TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O5010.9Semi standard non polar33892256
Orientin,3TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)=CC=C1O4963.4Semi standard non polar33892256
Orientin,3TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C4967.9Semi standard non polar33892256
Orientin,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C=C(C3=CC=C(O)C(O)=C3)OC2=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4963.8Semi standard non polar33892256
Orientin,3TBDMS,isomer #48CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O4965.1Semi standard non polar33892256
Orientin,3TBDMS,isomer #49CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)=CC=C1O4921.2Semi standard non polar33892256
Orientin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4964.5Semi standard non polar33892256
Orientin,3TBDMS,isomer #50CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O4995.2Semi standard non polar33892256
Orientin,3TBDMS,isomer #51CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)=CC=C1O4947.5Semi standard non polar33892256
Orientin,3TBDMS,isomer #52CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O)C(C4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C4947.3Semi standard non polar33892256
Orientin,3TBDMS,isomer #53CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O5056.9Semi standard non polar33892256
Orientin,3TBDMS,isomer #54CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O5010.7Semi standard non polar33892256
Orientin,3TBDMS,isomer #55CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C5027.3Semi standard non polar33892256
Orientin,3TBDMS,isomer #56CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C5060.3Semi standard non polar33892256
Orientin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4944.8Semi standard non polar33892256
Orientin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC3=O)C(O)C(O)C1O5030.5Semi standard non polar33892256
Orientin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC3=O)C(O)C(O)C1O4984.5Semi standard non polar33892256
Orientin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4976.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-5359500000-f9adac53dffd9a9c99e72017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (3 TMS) - 70eV, Positivesplash10-0udm-2400649000-74ca092951d9881de08b2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (TMS_3_26) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (TMS_4_39) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (TMS_4_41) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (TMS_4_45) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (TMS_5_37) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (TMS_5_41) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (TMS_5_42) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (TMS_5_44) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (TMS_6_22) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (TMS_6_24) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (TMS_6_26) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS (TBDMS_3_26) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Orientin GC-MS ("Orientin,3TMS,#26" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin , negative-QTOFsplash10-004j-0009400000-3059cfe62dc1fc2d4ae72017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin , positive-QTOFsplash10-002b-0139400000-f3fff996fce68da266cb2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin 6V, Positive-QTOFsplash10-004i-0029200000-9e20b610236551cee3e92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin 6V, Positive-QTOFsplash10-001i-0940000000-6ade1586982fcaaa04d32021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin 6V, Positive-QTOFsplash10-002b-0007900000-299d60fdf13ab2f062f52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin 6V, Positive-QTOFsplash10-002b-0007900000-db4be8b974f6d2f16d682021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin 6V, Positive-QTOFsplash10-004j-0029200000-1d510f55b44dccbf2f0c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin 6V, Positive-QTOFsplash10-001i-0930000000-7ba47734d755fe6187d62021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin 6V, Positive-QTOFsplash10-002b-0007900000-9af7a501987a53fa11862021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin 6V, Positive-QTOFsplash10-001i-0930000000-1eb6b2cd4ec3df0a29912021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin 6V, Positive-QTOFsplash10-004i-0029200000-daa29aee5f2e919899292021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin 6V, Positive-QTOFsplash10-004j-0298000000-34defc81a94142eeadb52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin 6V, Positive-QTOFsplash10-004j-0197000000-69a0d730bb6b380cf4ee2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin 6V, Negative-QTOFsplash10-004j-0029200000-e3ead7f8fd2f272918ff2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Orientin 6V, Positive-QTOFsplash10-002b-0297000000-e1e2a2699aa7c4a528bf2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orientin 10V, Positive-QTOFsplash10-000t-0000900000-dbaba69a1ec2e196894c2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orientin 20V, Positive-QTOFsplash10-01pk-3321900000-58f0bdc82c44d422ce9b2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orientin 40V, Positive-QTOFsplash10-0bta-4298000000-6aa6da44ac805b909fae2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orientin 10V, Negative-QTOFsplash10-0002-0011900000-11759d86677ab5572af72015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orientin 20V, Negative-QTOFsplash10-00bj-8348900000-5afe26ef74613ffacf3c2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orientin 40V, Negative-QTOFsplash10-0006-9443000000-3dafb42d1ba4e7e094332015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orientin 10V, Negative-QTOFsplash10-0002-0000900000-e34b057bc120eef7d6a02021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orientin 20V, Negative-QTOFsplash10-0002-0000900000-578e80e06a8f791630d82021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orientin 40V, Negative-QTOFsplash10-01t9-0955400000-d57d92c5c589d52431dc2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Orientin 10V, Positive-QTOFsplash10-0002-0000900000-6cdaf2bc31caca882f1d2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart 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 IDFDB002510
KNApSAcK IDC00001078
Chemspider ID4529887
KEGG Compound IDC10114
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkOrientin
METLIN IDNot Available
PubChem Compound5382105
PDB IDNot Available
ChEBI ID7781
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1699391
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 magnesium ion binding
Specific function:
Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
Gene Name:
COMT
Uniprot ID:
P21964
Molecular weight:
30036.77
Reactions
Orientin → 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-onedetails
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
Orientin → ({6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic aciddetails
Orientin → {6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxidanesulfonic aciddetails
Orientin → {2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic aciddetails
Orientin → {2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-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
Orientin → 6-(4-{5,7-dihydroxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Orientin → 6-(5-{5,7-dihydroxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Orientin → 6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Orientin → 6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
General function:
sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of phenolic monoamines (neurotransmitters such as dopamine, norepinephrine and serotonin) and phenolic and catechol drugs.
Gene Name:
SULT1A3
Uniprot ID:
P0DMM9
Molecular weight:
34195.96
Reactions
Orientin → (5-{5,7-dihydroxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic aciddetails