Hmdb loader
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:37:39 UTC
Update Date2022-03-07 02:52:36 UTC
HMDB IDHMDB0030564
Secondary Accession Numbers
  • HMDB30564
Metabolite Identification
Common Nametrans-Piceid
Descriptiontrans-Piceid, also known as polydatin or piceid, belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. Thus, trans-piceid is considered to be an aromatic polyketide. trans-Piceid is found, on average, in the highest concentration within a few different foods, such as grape wine, white wine, and berry wine and in a lower concentration in peanuts (Arachis hypogaea), chocolate, and common grapes (Vitis vinifera). trans-Piceid has also been detected, but not quantified in, several different foods, such as lingonberries (Vaccinium vitis-idaea), garden tomatoes (Solanum lycopersicum), alcoholic beverages, red grape juice, and strawberries (Fragaria X ananassa). This could make trans-piceid a potential biomarker for the consumption of these foods. trans-Piceid is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on trans-Piceid.
Structure
Data?1563862004
Synonyms
ValueSource
3,4',5-Trihydroxystilbene-3-beta-D-glucosideChEBI
3,4,5-Trihydroxystilbene-3-beta-monoglucosideChEBI
PiceidChEBI
PolydatinChEBI
trans-Resveratrol 3-beta-D-glucosideChEBI
trans-Resveratrol 3-beta-glucosideChEBI
trans-Resveratrol 3-O-beta-D-glucosideChEBI
3,4',5-Trihydroxystilbene-3-b-D-glucosideGenerator
3,4',5-Trihydroxystilbene-3-β-D-glucosideGenerator
3,4,5-Trihydroxystilbene-3-b-monoglucosideGenerator
3,4,5-Trihydroxystilbene-3-β-monoglucosideGenerator
trans-Resveratrol 3-b-D-glucosideGenerator
trans-Resveratrol 3-β-D-glucosideGenerator
trans-Resveratrol 3-b-glucosideGenerator
trans-Resveratrol 3-β-glucosideGenerator
trans-Resveratrol 3-O-b-D-glucosideGenerator
trans-Resveratrol 3-O-β-D-glucosideGenerator
3,4'-5-Trihydroxystilbene-3-beta-D-glucopyranosideHMDB
3,5,4'-Trihydroxystilbene 3-glucosideHMDB
Resveratrol 3-beta-D-glucosideHMDB
Resveratrol 3-beta-mono-D-glucosideHMDB
Resveratrol 3-glucosideHMDB
Resveratrol 3-O-glucosideHMDB
Resveratrol 5-O-glucosideHMDB
trans-Resveratrol 3-glucosideHMDB
trans-Resveratrol 3-O-glucosideHMDB
3,4,5-TSGMeSH
Polydatin, (e)-isomerMeSH
Resveratrol 3-O-beta-D-glucosideMeSH
3-Hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl-beta-D-glucosideMeSH
5,4'-Dihydroxystilbene-3-O-beta-D-GLCPMeSH
3-Hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl beta-D-glucopyranosidePhytoBank
3-Hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl β-D-glucopyranosidePhytoBank
(-)-trans-Resveratrol 13-O-beta-D-glucopyranosidePhytoBank
(-)-trans-Resveratrol 13-O-β-D-glucopyranosidePhytoBank
(E)-PiceidPhytoBank
(E)-PolydatinPhytoBank
(E)-Resveratrol 3-O-beta-D-glucopyranosidePhytoBank
(E)-Resveratrol 3-O-β-D-glucopyranosidePhytoBank
3-Hydroxy-5-(p-hydroxystyryl)phenyl beta-D-glucosidePhytoBank
3-Hydroxy-5-(p-hydroxystyryl)phenyl β-D-glucosidePhytoBank
3-O-Glucosyl-resveratrolPhytoBank
PieceidPhytoBank
Polydotin peceidPhytoBank
Resveratrol 3-O-β-D-glucosidePhytoBank
Resveratrol 3-O-beta-glucopyranosidePhytoBank
Resveratrol 3-O-β-glucopyranosidePhytoBank
Resveratrol beta-D-glucosidePhytoBank
Resveratrol β-D-glucosidePhytoBank
Resveratrol beta-glucosidePhytoBank
Resveratrol β-glucosidePhytoBank
Resveratrol glucosidePhytoBank
trans-PiceidPhytoBank
trans-PolydatinPhytoBank
trans-3,5,4'-Trihydroxystilbene 3-O-beta-glucopyranosidePhytoBank
trans-3,5,4'-Trihydroxystilbene 3-O-β-glucopyranosidePhytoBank
trans-3,5,4’-Trihydroxystilbene 3-O-β-glucopyranosidePhytoBank
trans-3,5,4'-Trihydroxystilbene 3-O-beta-glucosidePhytoBank
trans-3,5,4'-Trihydroxystilbene 3-O-β-glucosidePhytoBank
trans-3,5,4’-Trihydroxystilbene 3-O-β-glucosidePhytoBank
trans-3,5,4'-Trihydroxystilbene 3-O-glucosidePhytoBank
trans-3,5,4’-Trihydroxystilbene 3-O-glucosidePhytoBank
trans-3,5,4'-Trihydroxystilbene 3-glucosidePhytoBank
trans-3,5,4’-Trihydroxystilbene 3-glucosidePhytoBank
3,5,4'-Trihydroxystilbene 3-O-beta-glucopyranosidePhytoBank
3,5,4'-Trihydroxystilbene 3-O-β-glucopyranosidePhytoBank
3,5,4’-Trihydroxystilbene 3-O-β-glucopyranosidePhytoBank
3,5,4'-Trihydroxystilbene 3-O-beta-glucosidePhytoBank
3,5,4'-Trihydroxystilbene 3-O-β-glucosidePhytoBank
3,5,4’-Trihydroxystilbene 3-O-β-glucosidePhytoBank
3,5,4'-Trihydroxystilbene 3-O-glucosidePhytoBank
3,5,4’-Trihydroxystilbene 3-O-glucosidePhytoBank
3,5,4’-Trihydroxystilbene 3-glucosidePhytoBank
Chemical FormulaC20H22O8
Average Molecular Weight390.388
Monoisotopic Molecular Weight390.131467668
IUPAC Name(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Namepiceid
CAS Registry Number27208-80-6
SMILES
OC[C@H]1O[C@@H](OC2=CC(O)=CC(\C=C\C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
InChI KeyHSTZMXCBWJGKHG-CUYWLFDKSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassStilbenes
Sub ClassStilbene glycosides
Direct ParentStilbene glycosides
Alternative Parents
Substituents
  • Stilbene glycoside
  • Phenolic glycoside
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Phenoxy compound
  • Styrene
  • Phenol ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Monosaccharide
  • Benzenoid
  • Oxane
  • Secondary alcohol
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point130 - 140 °CNot Available
Boiling Point707.70 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility1616 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP0.412 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.77 g/LALOGPS
logP0.65ALOGPS
logP1.13ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)8.6ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area139.84 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity99.6 m³·mol⁻¹ChemAxon
Polarizability40.19 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+190.84430932474
DeepCCS[M-H]-188.44830932474
DeepCCS[M-2H]-221.87830932474
DeepCCS[M+Na]+196.95830932474
AllCCS[M+H]+194.132859911
AllCCS[M+H-H2O]+191.432859911
AllCCS[M+NH4]+196.632859911
AllCCS[M+Na]+197.432859911
AllCCS[M-H]-189.732859911
AllCCS[M+Na-2H]-190.032859911
AllCCS[M+HCOO]-190.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
trans-PiceidOC[C@H]1O[C@@H](OC2=CC(O)=CC(\C=C\C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O5833.6Standard polar33892256
trans-PiceidOC[C@H]1O[C@@H](OC2=CC(O)=CC(\C=C\C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O4077.8Standard non polar33892256
trans-PiceidOC[C@H]1O[C@@H](OC2=CC(O)=CC(\C=C\C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O4057.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
trans-Piceid,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O3791.9Semi standard non polar33892256
trans-Piceid,1TMS,isomer #2C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C13785.3Semi standard non polar33892256
trans-Piceid,1TMS,isomer #3C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C13786.2Semi standard non polar33892256
trans-Piceid,1TMS,isomer #4C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)O[C@H](CO)[C@@H](O)[C@@H]1O3769.6Semi standard non polar33892256
trans-Piceid,1TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)O[C@H](CO)[C@H]1O3769.3Semi standard non polar33892256
trans-Piceid,1TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O)[C@H]1O3782.6Semi standard non polar33892256
trans-Piceid,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O3717.8Semi standard non polar33892256
trans-Piceid,2TMS,isomer #10C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C2)C=C13713.2Semi standard non polar33892256
trans-Piceid,2TMS,isomer #11C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)C=C13685.2Semi standard non polar33892256
trans-Piceid,2TMS,isomer #12C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)C=C13718.3Semi standard non polar33892256
trans-Piceid,2TMS,isomer #13C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)O[C@@H]1CO3733.6Semi standard non polar33892256
trans-Piceid,2TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)O[C@H](CO)[C@H]1O3737.8Semi standard non polar33892256
trans-Piceid,2TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O)[C@H]1O[Si](C)(C)C3733.0Semi standard non polar33892256
trans-Piceid,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O3732.9Semi standard non polar33892256
trans-Piceid,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3747.6Semi standard non polar33892256
trans-Piceid,2TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3750.4Semi standard non polar33892256
trans-Piceid,2TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3766.8Semi standard non polar33892256
trans-Piceid,2TMS,isomer #6C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O[Si](C)(C)C)=C2)C=C13761.7Semi standard non polar33892256
trans-Piceid,2TMS,isomer #7C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C13707.7Semi standard non polar33892256
trans-Piceid,2TMS,isomer #8C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C13682.2Semi standard non polar33892256
trans-Piceid,2TMS,isomer #9C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C13701.2Semi standard non polar33892256
trans-Piceid,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O3714.9Semi standard non polar33892256
trans-Piceid,3TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3716.3Semi standard non polar33892256
trans-Piceid,3TMS,isomer #11C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=CC(O[Si](C)(C)C)=C2)C=C13723.8Semi standard non polar33892256
trans-Piceid,3TMS,isomer #12C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=CC(O[Si](C)(C)C)=C2)C=C13711.4Semi standard non polar33892256
trans-Piceid,3TMS,isomer #13C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C=C13709.1Semi standard non polar33892256
trans-Piceid,3TMS,isomer #14C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C13645.2Semi standard non polar33892256
trans-Piceid,3TMS,isomer #15C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C13645.5Semi standard non polar33892256
trans-Piceid,3TMS,isomer #16C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C13655.3Semi standard non polar33892256
trans-Piceid,3TMS,isomer #17C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)C=C13648.0Semi standard non polar33892256
trans-Piceid,3TMS,isomer #18C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)C=C13655.3Semi standard non polar33892256
trans-Piceid,3TMS,isomer #19C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)C=C13659.8Semi standard non polar33892256
trans-Piceid,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3668.5Semi standard non polar33892256
trans-Piceid,3TMS,isomer #20C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C3687.2Semi standard non polar33892256
trans-Piceid,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3655.8Semi standard non polar33892256
trans-Piceid,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3693.2Semi standard non polar33892256
trans-Piceid,3TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3681.6Semi standard non polar33892256
trans-Piceid,3TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3660.4Semi standard non polar33892256
trans-Piceid,3TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3700.8Semi standard non polar33892256
trans-Piceid,3TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3708.1Semi standard non polar33892256
trans-Piceid,3TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3725.9Semi standard non polar33892256
trans-Piceid,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3685.0Semi standard non polar33892256
trans-Piceid,4TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3709.5Semi standard non polar33892256
trans-Piceid,4TMS,isomer #11C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=CC(O[Si](C)(C)C)=C2)C=C13687.6Semi standard non polar33892256
trans-Piceid,4TMS,isomer #12C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C=C13679.9Semi standard non polar33892256
trans-Piceid,4TMS,isomer #13C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C=C13685.2Semi standard non polar33892256
trans-Piceid,4TMS,isomer #14C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C13630.2Semi standard non polar33892256
trans-Piceid,4TMS,isomer #15C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)C=C13629.5Semi standard non polar33892256
trans-Piceid,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3691.1Semi standard non polar33892256
trans-Piceid,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3706.2Semi standard non polar33892256
trans-Piceid,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3635.5Semi standard non polar33892256
trans-Piceid,4TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3639.5Semi standard non polar33892256
trans-Piceid,4TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3653.6Semi standard non polar33892256
trans-Piceid,4TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3637.9Semi standard non polar33892256
trans-Piceid,4TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3652.2Semi standard non polar33892256
trans-Piceid,4TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3653.4Semi standard non polar33892256
trans-Piceid,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3677.2Semi standard non polar33892256
trans-Piceid,5TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3682.3Semi standard non polar33892256
trans-Piceid,5TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3694.6Semi standard non polar33892256
trans-Piceid,5TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3653.2Semi standard non polar33892256
trans-Piceid,5TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3658.8Semi standard non polar33892256
trans-Piceid,5TMS,isomer #6C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2)C=C13682.7Semi standard non polar33892256
trans-Piceid,6TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3712.5Semi standard non polar33892256
trans-Piceid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O4062.5Semi standard non polar33892256
trans-Piceid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C14039.2Semi standard non polar33892256
trans-Piceid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C14050.4Semi standard non polar33892256
trans-Piceid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)O[C@H](CO)[C@@H](O)[C@@H]1O4019.2Semi standard non polar33892256
trans-Piceid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)O[C@H](CO)[C@H]1O4012.8Semi standard non polar33892256
trans-Piceid,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O)[C@H]1O4035.6Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O4235.1Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)=C2)C=C14231.6Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C2)C=C14209.5Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C2)C=C14228.1Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)O[C@@H]1CO4195.6Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)O[C@H](CO)[C@H]1O4190.3Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4185.0Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O4248.1Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4217.5Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4211.6Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4228.2Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C=C14291.0Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=C14206.2Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C14190.2Semi standard non polar33892256
trans-Piceid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C14196.8Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=CC(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O4492.5Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4367.8Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C=C14486.2Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C=C14482.3Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2)C=C14469.5Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=C14360.6Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=C14361.7Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C14365.8Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=C2)C=C14364.4Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=C2)C=C14374.0Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=C2)C=C14375.5Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4387.1Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C4336.5Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4391.0Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4408.8Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4401.1Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4393.3Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4417.7Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4355.9Semi standard non polar33892256
trans-Piceid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4388.0Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=CC(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4639.0Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C=C3)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4510.6Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)=CC(O[Si](C)(C)C(C)(C)C)=C2)C=C14620.3Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2)C=C14621.6Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2)C=C14622.2Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C14495.9Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)=C2)C=C14502.9Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=CC(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4649.0Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=CC(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4656.3Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4521.9Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4539.5Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C=C3)=CC(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4547.8Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4519.2Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4548.3Semi standard non polar33892256
trans-Piceid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4538.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - trans-Piceid GC-MS (Non-derivatized) - 70eV, Positivesplash10-00fr-8849000000-afa4a3b76849d4e46f852017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - trans-Piceid GC-MS (4 TMS) - 70eV, Positivesplash10-03di-2402019000-ab01e936362c2914933d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - trans-Piceid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - trans-Piceid LC-ESI-qTof , Positive-QTOFsplash10-004i-1491000000-fc0e407ffe35757fc8202017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - trans-Piceid , positive-QTOFsplash10-004i-1491000000-fc0e407ffe35757fc8202017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - trans-Piceid 35V, Positive-QTOFsplash10-004i-1590000000-a25f5c813c981cbef8b72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - trans-Piceid 35V, Negative-QTOFsplash10-004i-0090000000-a8d4e02058ab4ab69bb82021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - trans-Piceid 10V, Positive-QTOFsplash10-004l-0195000000-f31120d9fae6a1cf06b82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - trans-Piceid 20V, Positive-QTOFsplash10-004i-0290000000-89bf9a9b2c10be6f77e52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - trans-Piceid 40V, Positive-QTOFsplash10-03g1-2950000000-b7f7d43f0fc634de498c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - trans-Piceid 10V, Negative-QTOFsplash10-002r-1269000000-6ecb4ee9f3695142ea712016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - trans-Piceid 20V, Negative-QTOFsplash10-004i-1292000000-0d66247fee7f4b114acd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - trans-Piceid 40V, Negative-QTOFsplash10-004i-3490000000-1b5a061a6c2b5bba6f2c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - trans-Piceid 10V, Negative-QTOFsplash10-004i-0093000000-655d741da505269e9db72021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - trans-Piceid 20V, Negative-QTOFsplash10-004i-0091000000-13fcae43c57e4384eb622021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - trans-Piceid 40V, Negative-QTOFsplash10-004i-1890000000-a058f1a4a93bd575f5202021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - trans-Piceid 10V, Positive-QTOFsplash10-004i-0093000000-87f7640e0f393a2506ef2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - trans-Piceid 20V, Positive-QTOFsplash10-004i-0393000000-c0f86e21c3809680c2442021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - trans-Piceid 40V, Positive-QTOFsplash10-05r1-9853000000-f8d23ea0f94b8a70ea3f2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB11263
Phenol Explorer Compound ID593
FooDB IDFDB002449
KNApSAcK IDC00002896
Chemspider ID4445034
KEGG Compound IDC10275
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5281718
PDB IDNot Available
ChEBI ID8198
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1589071
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.. .