Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:34:39 UTC
Update Date2021-10-13 07:04:01 UTC
HMDB IDHMDB0037340
Secondary Accession Numbers
  • HMDB37340
Metabolite Identification
Common NameCosmosiin
DescriptionCosmosiin, also known as apigenin 7-O-glucoside or apigetrin, is a member of the class of compounds known as flavonoid-7-O-glycosides. Flavonoid-7-O-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Cosmosiin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cosmosiin can be found in a number of food items, such as common thyme, white lupine, common oregano, and orange mint. Cosmosiin can also be found in dandelion coffee and in Teucrium gnaphalodes (Wikipedia ). Cosmosiin can also be found plants such as wild celery and anise. Cosmosiin has been shown to exhibit anti-platelet function (PMID: 21834233 ).
Structure
Data?1563863014
Synonyms
ValueSource
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosideChEBI
7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-oneChEBI
7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavoneChEBI
Apigenin 7-O-glucosideChEBI
ApigetrinChEBI
CosmetinChEBI
CosmosiosideChEBI
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl b-D-glucopyranosideGenerator
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranosideGenerator
7-(b-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-oneGenerator
7-(Β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-oneGenerator
7-O-b-D-Glucosyl-5,7,4'-trihydroxyflavoneGenerator
7-O-Β-D-glucosyl-5,7,4'-trihydroxyflavoneGenerator
4',5,7-Trihydroxyflavone 7-beta-D-glucosideHMDB
4',5,7-Trihydroxyflavone 7-β-D-glucosideHMDB
7-O-beta-D-GlucopyranosylapigeninHMDB
7-O-beta-D-GlucosylapigeninHMDB
7-O-Β-D-glucopyranosylapigeninHMDB
7-O-Β-D-glucosylapigeninHMDB
Apigenin 7-beta-D-glucosideHMDB
Apigenin 7-beta-glucopyranosideHMDB
Apigenin 7-glucosideHMDB
Apigenin 7-O-beta-D-glucopyranosideHMDB
Apigenin 7-O-beta-D-glucosideHMDB
Apigenin 7-O-beta-glucopyranosideHMDB
Apigenin 7-O-beta-glucosideHMDB
Apigenin 7-O-β-D-glucopyranosideHMDB
Apigenin 7-O-β-D-glucosideHMDB
Apigenin 7-O-β-glucopyranosideHMDB
Apigenin 7-O-β-glucosideHMDB
Apigenin 7-β-D-glucosideHMDB
Apigenin 7-β-glucopyranosideHMDB
Apigenin-7-glucosideHMDB
CosmociinHMDB
CosmosideHMDB
CosmosiineHMDB
Apigenin-7-D-glucosideHMDB
Apigenin-7-O-beta-D-glucopyranosideHMDB
Apigenin 7-O-b-D-glucosideHMDB
CosmosiinChEBI
4’,5,7-Trihydroxyflavone 7-β-D-glucosidePhytoBank
Apigenin-7-O-4C1-beta-D-glucosidePhytoBank
Apigenin-7-O-4C1-β-D-glucosidePhytoBank
Chemical FormulaC21H20O10
Average Molecular Weight432.381
Monoisotopic Molecular Weight432.105646844
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Traditional Nameapigenin 7-o-β-glucoside
CAS Registry Number578-74-5
SMILES
OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
InChI KeyKMOUJOKENFFTPU-QNDFHXLGSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-7-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-7-o-glycoside
  • Hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • Flavone
  • Phenolic glycoside
  • Coumaric acid ester
  • Cinnamic acid ester
  • Cinnamic acid or derivatives
  • Coumaric acid or derivatives
  • Hydroxycinnamic acid or derivatives
  • O-glycosyl compound
  • Chromone
  • Glycosyl compound
  • 1-benzopyran
  • Benzopyran
  • Styrene
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • Pyranone
  • Fatty acid ester
  • Monocyclic benzene moiety
  • Fatty acyl
  • Benzenoid
  • Monosaccharide
  • Pyran
  • Oxane
  • Enoate ester
  • Alpha,beta-unsaturated carboxylic ester
  • Vinylogous acid
  • Heteroaromatic compound
  • Secondary alcohol
  • Carboxylic acid ester
  • Polyol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Hydrocarbon derivative
  • Carbonyl group
  • Organooxygen compound
  • Alcohol
  • Organic oxygen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point788.93 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility1417 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP-0.040 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.97 g/LALOGPS
logP10(0.68) g/LALOGPS
logP10(0.44) g/LChemAxon
logS10(-2.6) g/LALOGPS
pKa (Strongest Acidic)7.3ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area166.14 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity105.06 m³·mol⁻¹ChemAxon
Polarizability42.1 ųChemAxon
Number of Rings4ChemAxon
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]+195.37430932474
DeepCCS[M-H]-192.97830932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
CosmosiinOC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O5182.9Standard polar33892256
CosmosiinOC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4142.7Standard non polar33892256
CosmosiinOC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O4374.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cosmosiin,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4185.9Semi standard non polar33892256
Cosmosiin,1TMS,isomer #2C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O24218.4Semi standard non polar33892256
Cosmosiin,1TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C14273.5Semi standard non polar33892256
Cosmosiin,1TMS,isomer #4C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)O[C@H](CO)[C@@H](O)[C@@H]1O4226.1Semi standard non polar33892256
Cosmosiin,1TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)O[C@H](CO)[C@H]1O4193.4Semi standard non polar33892256
Cosmosiin,1TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H]1O4197.6Semi standard non polar33892256
Cosmosiin,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4053.3Semi standard non polar33892256
Cosmosiin,2TMS,isomer #10C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C14070.9Semi standard non polar33892256
Cosmosiin,2TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C14080.9Semi standard non polar33892256
Cosmosiin,2TMS,isomer #12C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C14098.5Semi standard non polar33892256
Cosmosiin,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)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)O[C@@H]1CO4072.0Semi standard non polar33892256
Cosmosiin,2TMS,isomer #14C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)O[C@H](CO)[C@H]1O4097.5Semi standard non polar33892256
Cosmosiin,2TMS,isomer #15C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C4066.1Semi standard non polar33892256
Cosmosiin,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4085.4Semi standard non polar33892256
Cosmosiin,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O4080.9Semi standard non polar33892256
Cosmosiin,2TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O4052.1Semi standard non polar33892256
Cosmosiin,2TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C4073.8Semi standard non polar33892256
Cosmosiin,2TMS,isomer #6C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O24052.7Semi standard non polar33892256
Cosmosiin,2TMS,isomer #7C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O24061.5Semi standard non polar33892256
Cosmosiin,2TMS,isomer #8C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O24079.8Semi standard non polar33892256
Cosmosiin,2TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C14142.3Semi standard non polar33892256
Cosmosiin,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4011.5Semi standard non polar33892256
Cosmosiin,3TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3982.4Semi standard non polar33892256
Cosmosiin,3TMS,isomer #11C[Si](C)(C)OC1=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)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O23947.3Semi standard non polar33892256
Cosmosiin,3TMS,isomer #12C[Si](C)(C)OC1=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)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O23955.6Semi standard non polar33892256
Cosmosiin,3TMS,isomer #13C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C14027.9Semi standard non polar33892256
Cosmosiin,3TMS,isomer #14C[Si](C)(C)OC1=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)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O23982.0Semi standard non polar33892256
Cosmosiin,3TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C14032.7Semi standard non polar33892256
Cosmosiin,3TMS,isomer #16C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C14030.1Semi standard non polar33892256
Cosmosiin,3TMS,isomer #17C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C13952.4Semi standard non polar33892256
Cosmosiin,3TMS,isomer #18C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C13961.8Semi standard non polar33892256
Cosmosiin,3TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C13990.4Semi standard non polar33892256
Cosmosiin,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3968.9Semi standard non polar33892256
Cosmosiin,3TMS,isomer #20C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C3983.7Semi standard non polar33892256
Cosmosiin,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3945.1Semi standard non polar33892256
Cosmosiin,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3978.6Semi standard non polar33892256
Cosmosiin,3TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3972.1Semi standard non polar33892256
Cosmosiin,3TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3954.2Semi standard non polar33892256
Cosmosiin,3TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3984.5Semi standard non polar33892256
Cosmosiin,3TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3980.8Semi standard non polar33892256
Cosmosiin,3TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4010.1Semi standard non polar33892256
Cosmosiin,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O3963.8Semi standard non polar33892256
Cosmosiin,4TMS,isomer #10C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3993.5Semi standard non polar33892256
Cosmosiin,4TMS,isomer #11C[Si](C)(C)OC1=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)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O23923.0Semi standard non polar33892256
Cosmosiin,4TMS,isomer #12C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C13978.0Semi standard non polar33892256
Cosmosiin,4TMS,isomer #13C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C13981.0Semi standard non polar33892256
Cosmosiin,4TMS,isomer #14C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C13989.7Semi standard non polar33892256
Cosmosiin,4TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C13926.0Semi standard non polar33892256
Cosmosiin,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O3954.3Semi standard non polar33892256
Cosmosiin,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C3973.9Semi standard non polar33892256
Cosmosiin,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3913.2Semi standard non polar33892256
Cosmosiin,4TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3921.9Semi standard non polar33892256
Cosmosiin,4TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3920.3Semi standard non polar33892256
Cosmosiin,4TMS,isomer #7C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3925.9Semi standard non polar33892256
Cosmosiin,4TMS,isomer #8C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3936.2Semi standard non polar33892256
Cosmosiin,4TMS,isomer #9C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3932.0Semi standard non polar33892256
Cosmosiin,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O3954.3Semi standard non polar33892256
Cosmosiin,5TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C3958.9Semi standard non polar33892256
Cosmosiin,5TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3969.5Semi standard non polar33892256
Cosmosiin,5TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3936.3Semi standard non polar33892256
Cosmosiin,5TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3956.4Semi standard non polar33892256
Cosmosiin,5TMS,isomer #6C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C13974.6Semi standard non polar33892256
Cosmosiin,6TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3983.5Semi standard non polar33892256
Cosmosiin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4481.7Semi standard non polar33892256
Cosmosiin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O24462.9Semi standard non polar33892256
Cosmosiin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C14515.4Semi standard non polar33892256
Cosmosiin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)O[C@H](CO)[C@@H](O)[C@@H]1O4488.7Semi standard non polar33892256
Cosmosiin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)O[C@H](CO)[C@H]1O4459.5Semi standard non polar33892256
Cosmosiin,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H]1O4467.2Semi standard non polar33892256
Cosmosiin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4579.4Semi standard non polar33892256
Cosmosiin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C14589.0Semi standard non polar33892256
Cosmosiin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)C=C14595.0Semi standard non polar33892256
Cosmosiin,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C14598.3Semi standard non polar33892256
Cosmosiin,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)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)O[C@@H]1CO4556.2Semi standard non polar33892256
Cosmosiin,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)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)O[C@H](CO)[C@H]1O4590.7Semi standard non polar33892256
Cosmosiin,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4547.5Semi standard non polar33892256
Cosmosiin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4612.6Semi standard non polar33892256
Cosmosiin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4586.8Semi standard non polar33892256
Cosmosiin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4553.4Semi standard non polar33892256
Cosmosiin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4582.6Semi standard non polar33892256
Cosmosiin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O24567.4Semi standard non polar33892256
Cosmosiin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O24563.9Semi standard non polar33892256
Cosmosiin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O24572.7Semi standard non polar33892256
Cosmosiin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C14651.3Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O4797.3Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4662.4Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=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)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O24685.7Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=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)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O24695.7Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C14804.2Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=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)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O24711.8Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)C=C14818.6Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C14801.2Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[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]4O)C=C3O2)C=C14706.0Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C14722.5Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C14735.2Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4687.0Semi standard non polar33892256
Cosmosiin,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)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C4675.3Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4674.4Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4702.3Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4717.8Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4715.9Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4732.8Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4660.7Semi standard non polar33892256
Cosmosiin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4681.8Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4921.7Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=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)C4792.6Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=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)=CC2=C1C(=O)C=C(C1=CC=C(O)C=C1)O24813.7Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[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]4O)C=C3O2)C=C14917.9Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C14928.6Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C14935.8Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[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]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C14843.4Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4911.7Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4924.8Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4815.6Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4839.6Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4822.8Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4844.0Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4868.5Semi standard non polar33892256
Cosmosiin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4848.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cosmosiin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cosmosiin 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 - Cosmosiin ESI-TOF 20V, Negative-QTOFsplash10-014r-0101900000-f6718e10f3de7520652f2017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin ESI-TOF 30V, Negative-QTOFsplash10-014r-0101900000-f6718e10f3de7520652f2017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin ESI-TOF 10V, Negative-QTOFsplash10-014r-0101900000-f6718e10f3de7520652f2017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin ESI-TOF 40V, Negative-QTOFsplash10-014r-0101900000-f6718e10f3de7520652f2017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin ESI-TOF 50V, Negative-QTOFsplash10-014i-0090000000-eedd23913ab9497a0eac2017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin ESI-TOF , Negative-QTOFsplash10-001i-0000900000-e2260ea719dbee112e942017-08-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin LC-ESI-QTOF 30V, positive-QTOFsplash10-00di-0090000000-931de09c88fa2bf108352020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin LC-ESI-QTOF 32V, positive-QTOFsplash10-00di-0190100000-328716d021915ac0b1ca2020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin LC-ESI-QTOF 32V, positive-QTOFsplash10-00di-0090000000-ef5fba33036a2fc3eefe2020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin LC-ESI-ITTOF , positive-QTOFsplash10-00di-0090000000-42a8500af8e4003c64d82020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin NA , positive-QTOFsplash10-00di-0090000000-bc14fdabab276d59d19e2020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin QqQ 18V, positive-QTOFsplash10-00di-0090000000-17b09902cbc2dacc4f532020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin NA , positive-QTOFsplash10-00di-0290000000-de36e4361d200d1581cd2020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin LC-ESI-QTOF 10V, positive-QTOFsplash10-00di-0090100000-1ddbdf7336facbeee0e62020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin LC-ESI-QTOF 30V, positive-QTOFsplash10-00di-0090000000-d5568c51391bbc9cf9582020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin LC-ESI-QTOF 50V, positive-QTOFsplash10-00di-0690000000-66369226057bbb9d461e2020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin LC-ESI-QTOF 6V, positive-QTOFsplash10-00di-0090100000-248119996a69ff1ac28b2020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin LC-ESI-QTOF 10V, positive-QTOFsplash10-00di-0090200000-82152bf26be497666fbb2020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cosmosiin LC-ESI-QTOF 20V, positive-QTOFsplash10-00di-0090000000-97145fc5c68f12c583622020-07-21HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cosmosiin 10V, Positive-QTOFsplash10-00e9-0190800000-d6fb1bf837b7e2f19b9b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cosmosiin 20V, Positive-QTOFsplash10-00di-0090000000-be62ac4071bbf231aebb2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cosmosiin 40V, Positive-QTOFsplash10-00dl-2290000000-45b3c356a68218e5c2db2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cosmosiin 10V, Negative-QTOFsplash10-00lr-1151900000-829923d6de81818f47a32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cosmosiin 20V, Negative-QTOFsplash10-014i-1090200000-a27b90fa5b842325e59d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cosmosiin 40V, Negative-QTOFsplash10-014i-3290000000-4e0d09fb8af7034a03eb2016-08-03Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003911
KNApSAcK IDC00001017
Chemspider ID4444290
KEGG Compound IDC04608
BioCyc IDAPIGENIN-7-O-BETA-D-GLUCOSIDE
BiGG IDNot Available
Wikipedia LinkApigetrin
METLIN IDNot Available
PubChem Compound5280704
PDB IDNot Available
ChEBI ID16778
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1588411
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Chaves DS, Frattani FS, Assafim M, de Almeida AP, de Zingali RB, Costa SS: Phenolic chemical composition of Petroselinum crispum extract and its effect on haemostasis. Nat Prod Commun. 2011 Jul;6(7):961-4. [PubMed:21834233 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .