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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:42:27 UTC
Update Date2022-03-07 02:55:20 UTC
HMDB IDHMDB0037457
Secondary Accession Numbers
  • HMDB37457
Metabolite Identification
Common NameSpinatoside
DescriptionSpinatoside belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. Spinatoside has been detected, but not quantified in, green vegetables and spinaches (Spinacia oleracea). This could make spinatoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Spinatoside.
Structure
Data?1563863034
Synonyms
ValueSource
Axillarin 4'-glucuronideHMDB
(2S,3S,4S,5R,6S)-6-[4-(5,7-Dihydroxy-3,6-dimethoxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylateGenerator
Chemical FormulaC23H22O14
Average Molecular Weight522.4124
Monoisotopic Molecular Weight522.100955412
IUPAC Name(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-3,6-dimethoxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Registry Number65039-74-9
SMILES
COC1=C(O)C2=C(OC(C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=C3)=C(OC)C2=O)C=C1O
InChI Identifier
InChI=1S/C23H22O14/c1-33-19-9(25)6-11-12(13(19)26)14(27)20(34-2)18(35-11)7-3-4-10(8(24)5-7)36-23-17(30)15(28)16(29)21(37-23)22(31)32/h3-6,15-17,21,23-26,28-30H,1-2H3,(H,31,32)/t15-,16-,17+,21-,23+/m0/s1
InChI KeyYIDAQAJEKNRLJS-QJAHINBCSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid O-glucuronides
Alternative Parents
Substituents
  • Flavonoid-4p-o-glucuronide
  • 3-methoxyflavonoid-skeleton
  • 6-methoxyflavonoid-skeleton
  • Hydroxyflavonoid
  • Flavone
  • 7-hydroxyflavonoid
  • 3'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • Phenolic glycoside
  • 1-o-glucuronide
  • O-glucuronide
  • 3-methoxychromone
  • Glucuronic acid or derivatives
  • Hexose monosaccharide
  • Glycosyl compound
  • Chromone
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Anisole
  • Phenol ether
  • Phenoxy compound
  • Phenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • Pyranone
  • Beta-hydroxy acid
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Oxane
  • Monosaccharide
  • Hydroxy acid
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Ether
  • Acetal
  • Carboxylic acid
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Polyol
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxygen compound
  • Organooxygen compound
  • Organic oxide
  • Carbonyl group
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point159 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.32 g/LALOGPS
logP1.48ALOGPS
logP0.16ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)2.97ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area221.9 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity120.09 m³·mol⁻¹ChemAxon
Polarizability48.94 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+210.21530932474
DeepCCS[M-H]-208.3930932474
DeepCCS[M-2H]-241.79930932474
DeepCCS[M+Na]+215.82130932474
AllCCS[M+H]+216.132859911
AllCCS[M+H-H2O]+214.232859911
AllCCS[M+NH4]+217.832859911
AllCCS[M+Na]+218.332859911
AllCCS[M-H]-214.332859911
AllCCS[M+Na-2H]-215.532859911
AllCCS[M+HCOO]-216.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SpinatosideCOC1=C(O)C2=C(OC(C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=C3)=C(OC)C2=O)C=C1O6498.0Standard polar33892256
SpinatosideCOC1=C(O)C2=C(OC(C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=C3)=C(OC)C2=O)C=C1O4206.4Standard non polar33892256
SpinatosideCOC1=C(O)C2=C(OC(C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=C3)=C(OC)C2=O)C=C1O4561.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Spinatoside,1TMS,isomer #1COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4359.9Semi standard non polar33892256
Spinatoside,1TMS,isomer #2COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4386.7Semi standard non polar33892256
Spinatoside,1TMS,isomer #3COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4381.7Semi standard non polar33892256
Spinatoside,1TMS,isomer #4COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4390.1Semi standard non polar33892256
Spinatoside,1TMS,isomer #5COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4416.0Semi standard non polar33892256
Spinatoside,1TMS,isomer #6COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4391.8Semi standard non polar33892256
Spinatoside,1TMS,isomer #7COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4384.2Semi standard non polar33892256
Spinatoside,2TMS,isomer #1COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4258.7Semi standard non polar33892256
Spinatoside,2TMS,isomer #10COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4281.4Semi standard non polar33892256
Spinatoside,2TMS,isomer #11COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4258.6Semi standard non polar33892256
Spinatoside,2TMS,isomer #12COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4250.6Semi standard non polar33892256
Spinatoside,2TMS,isomer #13COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4311.5Semi standard non polar33892256
Spinatoside,2TMS,isomer #14COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4257.4Semi standard non polar33892256
Spinatoside,2TMS,isomer #15COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4246.5Semi standard non polar33892256
Spinatoside,2TMS,isomer #16COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4255.6Semi standard non polar33892256
Spinatoside,2TMS,isomer #17COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4321.4Semi standard non polar33892256
Spinatoside,2TMS,isomer #18COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4252.8Semi standard non polar33892256
Spinatoside,2TMS,isomer #19COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4308.6Semi standard non polar33892256
Spinatoside,2TMS,isomer #2COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4265.5Semi standard non polar33892256
Spinatoside,2TMS,isomer #20COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4306.0Semi standard non polar33892256
Spinatoside,2TMS,isomer #21COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4275.4Semi standard non polar33892256
Spinatoside,2TMS,isomer #3COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4217.5Semi standard non polar33892256
Spinatoside,2TMS,isomer #4COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4208.0Semi standard non polar33892256
Spinatoside,2TMS,isomer #5COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4215.3Semi standard non polar33892256
Spinatoside,2TMS,isomer #6COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4221.2Semi standard non polar33892256
Spinatoside,2TMS,isomer #7COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4255.7Semi standard non polar33892256
Spinatoside,2TMS,isomer #8COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4320.1Semi standard non polar33892256
Spinatoside,2TMS,isomer #9COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4259.6Semi standard non polar33892256
Spinatoside,3TMS,isomer #1COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4208.8Semi standard non polar33892256
Spinatoside,3TMS,isomer #10COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4138.6Semi standard non polar33892256
Spinatoside,3TMS,isomer #11COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4159.9Semi standard non polar33892256
Spinatoside,3TMS,isomer #12COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4134.8Semi standard non polar33892256
Spinatoside,3TMS,isomer #13COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4136.1Semi standard non polar33892256
Spinatoside,3TMS,isomer #14COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4118.4Semi standard non polar33892256
Spinatoside,3TMS,isomer #15COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4132.6Semi standard non polar33892256
Spinatoside,3TMS,isomer #16COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4252.3Semi standard non polar33892256
Spinatoside,3TMS,isomer #17COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4184.2Semi standard non polar33892256
Spinatoside,3TMS,isomer #18COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4207.1Semi standard non polar33892256
Spinatoside,3TMS,isomer #19COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4181.1Semi standard non polar33892256
Spinatoside,3TMS,isomer #2COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4162.5Semi standard non polar33892256
Spinatoside,3TMS,isomer #20COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4237.6Semi standard non polar33892256
Spinatoside,3TMS,isomer #21COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4271.7Semi standard non polar33892256
Spinatoside,3TMS,isomer #22COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4236.6Semi standard non polar33892256
Spinatoside,3TMS,isomer #23COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4216.0Semi standard non polar33892256
Spinatoside,3TMS,isomer #24COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4190.6Semi standard non polar33892256
Spinatoside,3TMS,isomer #25COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4203.4Semi standard non polar33892256
Spinatoside,3TMS,isomer #26COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4227.6Semi standard non polar33892256
Spinatoside,3TMS,isomer #27COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4186.7Semi standard non polar33892256
Spinatoside,3TMS,isomer #28COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4164.0Semi standard non polar33892256
Spinatoside,3TMS,isomer #29COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4241.8Semi standard non polar33892256
Spinatoside,3TMS,isomer #3COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4146.5Semi standard non polar33892256
Spinatoside,3TMS,isomer #30COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4217.6Semi standard non polar33892256
Spinatoside,3TMS,isomer #31COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4184.9Semi standard non polar33892256
Spinatoside,3TMS,isomer #32COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4253.3Semi standard non polar33892256
Spinatoside,3TMS,isomer #33COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4180.6Semi standard non polar33892256
Spinatoside,3TMS,isomer #34COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4236.0Semi standard non polar33892256
Spinatoside,3TMS,isomer #35COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4223.2Semi standard non polar33892256
Spinatoside,3TMS,isomer #4COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4162.1Semi standard non polar33892256
Spinatoside,3TMS,isomer #5COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4172.8Semi standard non polar33892256
Spinatoside,3TMS,isomer #6COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4201.5Semi standard non polar33892256
Spinatoside,3TMS,isomer #7COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4169.3Semi standard non polar33892256
Spinatoside,3TMS,isomer #8COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4204.5Semi standard non polar33892256
Spinatoside,3TMS,isomer #9COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4174.8Semi standard non polar33892256
Spinatoside,4TMS,isomer #1COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4177.2Semi standard non polar33892256
Spinatoside,4TMS,isomer #10COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4137.9Semi standard non polar33892256
Spinatoside,4TMS,isomer #11COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4151.5Semi standard non polar33892256
Spinatoside,4TMS,isomer #12COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4185.5Semi standard non polar33892256
Spinatoside,4TMS,isomer #13COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4146.4Semi standard non polar33892256
Spinatoside,4TMS,isomer #14COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4148.8Semi standard non polar33892256
Spinatoside,4TMS,isomer #15COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4124.7Semi standard non polar33892256
Spinatoside,4TMS,isomer #16COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4140.6Semi standard non polar33892256
Spinatoside,4TMS,isomer #17COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4138.5Semi standard non polar33892256
Spinatoside,4TMS,isomer #18COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4124.9Semi standard non polar33892256
Spinatoside,4TMS,isomer #19COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4133.3Semi standard non polar33892256
Spinatoside,4TMS,isomer #2COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4152.3Semi standard non polar33892256
Spinatoside,4TMS,isomer #20COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4112.7Semi standard non polar33892256
Spinatoside,4TMS,isomer #21COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4200.1Semi standard non polar33892256
Spinatoside,4TMS,isomer #22COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4237.5Semi standard non polar33892256
Spinatoside,4TMS,isomer #23COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4193.1Semi standard non polar33892256
Spinatoside,4TMS,isomer #24COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4183.5Semi standard non polar33892256
Spinatoside,4TMS,isomer #25COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4159.8Semi standard non polar33892256
Spinatoside,4TMS,isomer #26COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4173.5Semi standard non polar33892256
Spinatoside,4TMS,isomer #27COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4224.7Semi standard non polar33892256
Spinatoside,4TMS,isomer #28COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4181.0Semi standard non polar33892256
Spinatoside,4TMS,isomer #29COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4211.2Semi standard non polar33892256
Spinatoside,4TMS,isomer #3COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4175.1Semi standard non polar33892256
Spinatoside,4TMS,isomer #30COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4175.4Semi standard non polar33892256
Spinatoside,4TMS,isomer #31COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4198.1Semi standard non polar33892256
Spinatoside,4TMS,isomer #32COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4168.7Semi standard non polar33892256
Spinatoside,4TMS,isomer #33COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4152.2Semi standard non polar33892256
Spinatoside,4TMS,isomer #34COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4178.9Semi standard non polar33892256
Spinatoside,4TMS,isomer #35COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4187.7Semi standard non polar33892256
Spinatoside,4TMS,isomer #4COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4143.6Semi standard non polar33892256
Spinatoside,4TMS,isomer #5COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4134.2Semi standard non polar33892256
Spinatoside,4TMS,isomer #6COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4145.5Semi standard non polar33892256
Spinatoside,4TMS,isomer #7COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4148.1Semi standard non polar33892256
Spinatoside,4TMS,isomer #8COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4125.9Semi standard non polar33892256
Spinatoside,4TMS,isomer #9COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4114.2Semi standard non polar33892256
Spinatoside,5TMS,isomer #1COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4152.7Semi standard non polar33892256
Spinatoside,5TMS,isomer #10COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4133.0Semi standard non polar33892256
Spinatoside,5TMS,isomer #11COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4164.6Semi standard non polar33892256
Spinatoside,5TMS,isomer #12COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4125.4Semi standard non polar33892256
Spinatoside,5TMS,isomer #13COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4156.6Semi standard non polar33892256
Spinatoside,5TMS,isomer #14COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4124.0Semi standard non polar33892256
Spinatoside,5TMS,isomer #15COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4132.8Semi standard non polar33892256
Spinatoside,5TMS,isomer #16COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4220.6Semi standard non polar33892256
Spinatoside,5TMS,isomer #17COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4176.1Semi standard non polar33892256
Spinatoside,5TMS,isomer #18COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4206.4Semi standard non polar33892256
Spinatoside,5TMS,isomer #19COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4173.2Semi standard non polar33892256
Spinatoside,5TMS,isomer #2COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4183.1Semi standard non polar33892256
Spinatoside,5TMS,isomer #20COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4188.0Semi standard non polar33892256
Spinatoside,5TMS,isomer #21COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O4169.4Semi standard non polar33892256
Spinatoside,5TMS,isomer #3COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4148.3Semi standard non polar33892256
Spinatoside,5TMS,isomer #4COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4157.4Semi standard non polar33892256
Spinatoside,5TMS,isomer #5COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4121.3Semi standard non polar33892256
Spinatoside,5TMS,isomer #6COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4146.0Semi standard non polar33892256
Spinatoside,5TMS,isomer #7COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4146.4Semi standard non polar33892256
Spinatoside,5TMS,isomer #8COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4142.9Semi standard non polar33892256
Spinatoside,5TMS,isomer #9COC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C4150.8Semi standard non polar33892256
Spinatoside,1TBDMS,isomer #1COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4647.6Semi standard non polar33892256
Spinatoside,1TBDMS,isomer #2COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4641.8Semi standard non polar33892256
Spinatoside,1TBDMS,isomer #3COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4647.2Semi standard non polar33892256
Spinatoside,1TBDMS,isomer #4COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4666.2Semi standard non polar33892256
Spinatoside,1TBDMS,isomer #5COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4700.4Semi standard non polar33892256
Spinatoside,1TBDMS,isomer #6COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4666.9Semi standard non polar33892256
Spinatoside,1TBDMS,isomer #7COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4652.6Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #1COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4764.2Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #10COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4804.6Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #11COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4765.9Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #12COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4774.3Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #13COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4805.2Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #14COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4790.1Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #15COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4779.3Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #16COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4782.0Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #17COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4822.1Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #18COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4780.1Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #19COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4800.6Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #2COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4765.5Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #20COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4793.0Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #21COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4749.4Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #3COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4740.3Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #4COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4742.9Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #5COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4756.9Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #6COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4725.3Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #7COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4763.7Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #8COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4805.6Semi standard non polar33892256
Spinatoside,2TBDMS,isomer #9COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4773.0Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #1COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4869.6Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #10COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4829.7Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #11COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4857.9Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #12COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4814.7Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #13COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4839.1Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #14COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4800.1Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #15COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4817.2Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #16COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4919.5Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #17COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4895.9Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #18COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4921.3Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #19COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4885.4Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #2COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4849.3Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #20COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4906.9Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #21COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4947.3Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #22COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4898.6Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #23COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4929.3Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #24COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4889.5Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #25COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4906.1Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #26COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O4907.1Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #27COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4907.3Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #28COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4876.4Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #29COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4915.6Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #3COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4836.8Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #30COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4894.2Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #31COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4894.5Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #32COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O4931.4Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #33COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4889.9Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #34COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4908.0Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #35COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O4904.1Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #4COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4856.0Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #5COC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4843.5Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #6COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4852.8Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #7COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4835.3Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #8COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4864.8Semi standard non polar33892256
Spinatoside,3TBDMS,isomer #9COC1=C(O)C=C2OC(C3=CC=C(O[C@@H]4O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]4O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(OC)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4831.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Spinatoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a6r-9103720000-a3d75e9cba9105f445792017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Spinatoside GC-MS (2 TMS) - 70eV, Positivesplash10-0zfr-9200047000-6248f5bfacc9c0e8e6162017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spinatoside 10V, Positive-QTOFsplash10-0592-0109180000-84d6cfd7f21aae42d3ba2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spinatoside 20V, Positive-QTOFsplash10-0002-0109000000-4c89585a6b8804824a172016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spinatoside 40V, Positive-QTOFsplash10-053s-2819000000-76e5844f7edfbb4006022016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spinatoside 10V, Negative-QTOFsplash10-00dj-1206490000-b086c9fe0562f8acebda2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spinatoside 20V, Negative-QTOFsplash10-002b-1009210000-c7191576479eb231a31d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spinatoside 40V, Negative-QTOFsplash10-002b-2329000000-a6af39385cbc172438e42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spinatoside 10V, Negative-QTOFsplash10-00di-0000090000-554b16114b5165fe83a22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spinatoside 20V, Negative-QTOFsplash10-00di-0301090000-356dd9ba1d4cbee1c84c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spinatoside 40V, Negative-QTOFsplash10-014i-1924110000-31cfdb49278aba1585ec2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spinatoside 10V, Positive-QTOFsplash10-00di-0000090000-603f69224c41898cb9bc2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spinatoside 20V, Positive-QTOFsplash10-00di-0000090000-00a6a808e31492cb07782021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spinatoside 40V, Positive-QTOFsplash10-00si-1911030000-d757be7f89fadd92a01b2021-09-22Wishart 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 ID365
FooDB IDFDB016519
KNApSAcK IDC00005656
Chemspider ID10306188
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound21722022
PDB IDNot Available
ChEBI ID169144
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.. .