Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:43:02 UTC
Update Date2022-03-07 02:52:58 UTC
HMDB IDHMDB0031422
Secondary Accession Numbers
  • HMDB31422
Metabolite Identification
Common Namecis-Piceid
Descriptioncis-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. cis-Piceid is found, on average, in the highest concentration within white wine. cis-Piceid has also been detected, but not quantified in, common grapes (Vitis vinifera) and fruits. This could make cis-piceid a potential biomarker for the consumption of these foods. cis-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 cis-Piceid.
Structure
Data?1563862124
Synonyms
ValueSource
cis-Resveratrol 3-beta-D-glucosideChEBI
cis-Resveratrol 3-beta-glucosideChEBI
cis-Resveratrol 3-O-beta-D-glucosideChEBI
cis-Resveratrol 3-b-D-glucosideGenerator
cis-Resveratrol 3-β-D-glucosideGenerator
cis-Resveratrol 3-b-glucosideGenerator
cis-Resveratrol 3-β-glucosideGenerator
cis-Resveratrol 3-O-b-D-glucosideGenerator
cis-Resveratrol 3-O-β-D-glucosideGenerator
cis-Resveratrol 3-glucosideHMDB
cis-Resveratrol 3-O-glucosideHMDB
Chemical FormulaC20H22O8
Average Molecular Weight390.3839
Monoisotopic Molecular Weight390.13146768
IUPAC Name(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Name(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Registry Number148766-36-3
SMILES
OC[C@H]1O[C@@H](OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=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-BUFXCDORSA-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
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point126 - 129 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.77 g/LALOGPS
logP0.65ALOGPS
logP1.13ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)9.1ChemAxon
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
Polarizability39.04 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]+192.76330932474
DeepCCS[M-H]-190.40530932474
DeepCCS[M-2H]-223.90830932474
DeepCCS[M+Na]+199.62530932474
AllCCS[M+H]+194.132859911
AllCCS[M+H-H2O]+191.332859911
AllCCS[M+NH4]+196.632859911
AllCCS[M+Na]+197.432859911
AllCCS[M-H]-189.932859911
AllCCS[M+Na-2H]-190.232859911
AllCCS[M+HCOO]-190.632859911

Predicted Kovats Retention Indices

Underivatized

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

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
cis-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
cis-Piceid,1TMS,isomer #2C[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
cis-Piceid,1TMS,isomer #3C[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
cis-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
cis-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
cis-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
cis-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
cis-Piceid,2TMS,isomer #10C[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
cis-Piceid,2TMS,isomer #11C[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
cis-Piceid,2TMS,isomer #12C[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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-Piceid,2TMS,isomer #7C[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
cis-Piceid,2TMS,isomer #8C[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
cis-Piceid,2TMS,isomer #9C[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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-Piceid,3TMS,isomer #14C[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
cis-Piceid,3TMS,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)[C@H]3O[Si](C)(C)C)=C2)C=C13655.3Semi standard non polar33892256
cis-Piceid,3TMS,isomer #16C[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
cis-Piceid,3TMS,isomer #17C[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
cis-Piceid,3TMS,isomer #18C[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
cis-Piceid,3TMS,isomer #19C[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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-Piceid,4TMS,isomer #14C[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
cis-Piceid,4TMS,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[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C13630.2Semi standard non polar33892256
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-Piceid,1TBDMS,isomer #2CC(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
cis-Piceid,1TBDMS,isomer #3CC(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
cis-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
cis-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
cis-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
cis-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
cis-Piceid,2TBDMS,isomer #10CC(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
cis-Piceid,2TBDMS,isomer #11CC(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
cis-Piceid,2TBDMS,isomer #12CC(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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-Piceid,2TBDMS,isomer #7CC(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
cis-Piceid,2TBDMS,isomer #8CC(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
cis-Piceid,2TBDMS,isomer #9CC(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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-Piceid,3TBDMS,isomer #14CC(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
cis-Piceid,3TBDMS,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)[C@H]3O[Si](C)(C)C(C)(C)C)=C2)C=C14374.0Semi standard non polar33892256
cis-Piceid,3TBDMS,isomer #16CC(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
cis-Piceid,3TBDMS,isomer #17CC(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
cis-Piceid,3TBDMS,isomer #18CC(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
cis-Piceid,3TBDMS,isomer #19CC(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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-Piceid,4TBDMS,isomer #14CC(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
cis-Piceid,4TBDMS,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[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=C14495.9Semi standard non polar33892256
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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
cis-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 - cis-Piceid GC-MS (Non-derivatized) - 70eV, Positivesplash10-00fr-8849000000-afa4a3b76849d4e46f852017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - cis-Piceid GC-MS (4 TMS) - 70eV, Positivesplash10-03di-2402019000-ab01e936362c2914933d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - cis-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 - cis-Piceid 40V, Negative-QTOFsplash10-004r-0970000000-e71e1d164b17ea7808242021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - cis-Piceid 20V, Negative-QTOFsplash10-004i-0090000000-4220f89c6f9d549d92532021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - cis-Piceid 10V, Negative-QTOFsplash10-004i-0091000000-d9bf044a01182b5947e02021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Piceid 10V, Positive-QTOFsplash10-004l-0195000000-f31120d9fae6a1cf06b82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Piceid 20V, Positive-QTOFsplash10-004i-0290000000-89bf9a9b2c10be6f77e52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Piceid 40V, Positive-QTOFsplash10-03g1-2950000000-b7f7d43f0fc634de498c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Piceid 10V, Negative-QTOFsplash10-002r-1269000000-6ecb4ee9f3695142ea712016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Piceid 20V, Negative-QTOFsplash10-004i-1292000000-0d66247fee7f4b114acd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Piceid 40V, Negative-QTOFsplash10-004i-3490000000-1b5a061a6c2b5bba6f2c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Piceid 10V, Negative-QTOFsplash10-004r-0198000000-9934725a20b55110e6d52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Piceid 20V, Negative-QTOFsplash10-004i-0190000000-62213d621bca2d53440b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Piceid 40V, Negative-QTOFsplash10-004i-0690000000-d9a755192ce412236cad2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Piceid 10V, Positive-QTOFsplash10-002f-0379000000-160a299bc12b7a538a082021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Piceid 20V, Positive-QTOFsplash10-004i-0391000000-a1b23a253754c99c36f42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-Piceid 40V, Positive-QTOFsplash10-056r-6971000000-afdad1828cefb6d7a2402021-09-22Wishart 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 ID587
FooDB IDFDB003499
KNApSAcK IDC00055777
Chemspider ID8353968
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10178463
PDB IDNot Available
ChEBI ID76155
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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.. .