Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:00:32 UTC
Update Date2022-03-07 02:54:01 UTC
HMDB IDHMDB0034207
Secondary Accession Numbers
  • HMDB34207
Metabolite Identification
Common Name6'-Apiosyllotaustralin
Description6'-Apiosyllotaustralin belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group. 6'-Apiosyllotaustralin has been detected, but not quantified in, root vegetables. This could make 6'-apiosyllotaustralin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 6'-Apiosyllotaustralin.
Structure
Data?1563862528
SynonymsNot Available
Chemical FormulaC16H27NO10
Average Molecular Weight393.3863
Monoisotopic Molecular Weight393.163496089
IUPAC Name2-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-methylbutanenitrile
Traditional Name2-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-methylbutanenitrile
CAS Registry Number170033-25-7
SMILES
CCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C#N
InChI Identifier
InChI=1S/C16H27NO10/c1-3-16(2,6-17)27-15-13(23)11(21)10(20)8(26-15)5-24-14-12(22)9(19)7(4-18)25-14/h7-15,18-23H,3-5H2,1-2H3
InChI KeyNUKMOAMTVXXKKG-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentCyanogenic glycosides
Alternative Parents
Substituents
  • Cyanogenic glycoside
  • Disaccharide
  • O-glycosyl compound
  • Oxane
  • Tetrahydrofuran
  • Secondary alcohol
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Nitrile
  • Carbonitrile
  • Oxacycle
  • Primary alcohol
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic nitrogen compound
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility91440 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility69.8 g/LALOGPS
logP-1.4ALOGPS
logP-2.4ChemAxon
logS-0.75ALOGPS
pKa (Strongest Acidic)11.94ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area182.09 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity85.92 m³·mol⁻¹ChemAxon
Polarizability38.58 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+189.11131661259
DarkChem[M-H]-182.83231661259
DeepCCS[M+H]+188.12430932474
DeepCCS[M-H]-185.63930932474
DeepCCS[M-2H]-220.02730932474
DeepCCS[M+Na]+195.67530932474
AllCCS[M+H]+191.932859911
AllCCS[M+H-H2O]+189.432859911
AllCCS[M+NH4]+194.132859911
AllCCS[M+Na]+194.832859911
AllCCS[M-H]-190.432859911
AllCCS[M+Na-2H]-190.632859911
AllCCS[M+HCOO]-191.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
6'-ApiosyllotaustralinCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C#N2679.3Standard polar33892256
6'-ApiosyllotaustralinCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C#N3036.3Standard non polar33892256
6'-ApiosyllotaustralinCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C#N3111.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
6'-Apiosyllotaustralin,1TMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O3024.7Semi standard non polar33892256
6'-Apiosyllotaustralin,1TMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O3006.2Semi standard non polar33892256
6'-Apiosyllotaustralin,1TMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O3019.5Semi standard non polar33892256
6'-Apiosyllotaustralin,1TMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O3025.9Semi standard non polar33892256
6'-Apiosyllotaustralin,1TMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O3008.7Semi standard non polar33892256
6'-Apiosyllotaustralin,1TMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C3014.3Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O2944.8Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #10CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2989.9Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #11CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2978.0Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #12CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2986.0Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #13CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2964.9Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #14CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2980.6Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #15CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2968.0Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O2960.5Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O2979.3Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O2961.0Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C2974.2Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O2966.2Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O2981.7Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #8CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O2968.3Semi standard non polar33892256
6'-Apiosyllotaustralin,2TMS,isomer #9CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C2975.5Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O2838.1Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #10CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2873.5Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #11CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2908.1Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #12CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2886.9Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #13CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2903.0Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #14CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2887.8Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #15CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2904.5Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #16CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2892.1Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #17CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2898.2Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #18CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2915.1Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #19CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2902.8Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O2866.8Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #20CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2944.5Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O2849.6Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C2859.1Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2884.9Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2866.0Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2877.4Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #8CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2871.5Semi standard non polar33892256
6'-Apiosyllotaustralin,3TMS,isomer #9CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2884.1Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2750.4Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #10CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2805.4Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #11CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2766.5Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #12CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2771.7Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #13CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2768.2Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #14CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2811.1Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #15CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2820.7Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2733.0Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2738.2Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2742.6Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2747.8Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2740.4Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2759.1Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #8CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2764.1Semi standard non polar33892256
6'-Apiosyllotaustralin,4TMS,isomer #9CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2758.0Semi standard non polar33892256
6'-Apiosyllotaustralin,5TMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2654.9Semi standard non polar33892256
6'-Apiosyllotaustralin,5TMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2664.1Semi standard non polar33892256
6'-Apiosyllotaustralin,5TMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2653.4Semi standard non polar33892256
6'-Apiosyllotaustralin,5TMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2692.5Semi standard non polar33892256
6'-Apiosyllotaustralin,5TMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2705.8Semi standard non polar33892256
6'-Apiosyllotaustralin,5TMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2704.4Semi standard non polar33892256
6'-Apiosyllotaustralin,6TMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2661.5Semi standard non polar33892256
6'-Apiosyllotaustralin,1TBDMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O3245.7Semi standard non polar33892256
6'-Apiosyllotaustralin,1TBDMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O3248.5Semi standard non polar33892256
6'-Apiosyllotaustralin,1TBDMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3258.7Semi standard non polar33892256
6'-Apiosyllotaustralin,1TBDMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3258.4Semi standard non polar33892256
6'-Apiosyllotaustralin,1TBDMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3251.4Semi standard non polar33892256
6'-Apiosyllotaustralin,1TBDMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3251.1Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O3371.2Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #10CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3405.5Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #11CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3398.8Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #12CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3396.1Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #13CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3390.2Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #14CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3389.7Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #15CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3391.8Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3386.8Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3398.6Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3389.2Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3390.7Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3396.7Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3396.2Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #8CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3393.1Semi standard non polar33892256
6'-Apiosyllotaustralin,2TBDMS,isomer #9CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3387.5Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3434.3Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #10CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3493.0Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #11CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3490.0Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #12CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3510.9Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #13CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3466.6Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #14CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3498.6Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #15CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3489.4Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #16CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3492.5Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #17CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3501.9Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #18CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3493.9Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #19CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3496.4Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3481.6Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #20CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3511.1Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3494.7Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3458.5Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3497.1Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3508.1Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3473.4Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #8CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3495.2Semi standard non polar33892256
6'-Apiosyllotaustralin,3TBDMS,isomer #9CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3487.4Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #1CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3547.8Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #10CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3586.9Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #11CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3594.1Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #12CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3587.8Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #13CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3587.9Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #14CCC(C)(C#N)OC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3592.0Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #15CCC(C)(C#N)OC1OC(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3598.0Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #2CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3579.0Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #3CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3520.7Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #4CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3581.4Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #5CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3578.7Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #6CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3578.1Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #7CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3595.1Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #8CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3590.4Semi standard non polar33892256
6'-Apiosyllotaustralin,4TBDMS,isomer #9CCC(C)(C#N)OC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3591.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 6'-Apiosyllotaustralin GC-MS (Non-derivatized) - 70eV, Positivesplash10-03gi-5259000000-40a3732e4fccd7d8e3fa2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6'-Apiosyllotaustralin GC-MS (4 TMS) - 70eV, Positivesplash10-014i-3103029000-cf861fb92d9b76ae74012017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6'-Apiosyllotaustralin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6'-Apiosyllotaustralin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6'-Apiosyllotaustralin 10V, Positive-QTOFsplash10-0uec-7928000000-d7dd2af2c40d3e20ceb22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6'-Apiosyllotaustralin 20V, Positive-QTOFsplash10-0ue9-9710000000-9ddce1e14599ac5903142016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6'-Apiosyllotaustralin 40V, Positive-QTOFsplash10-0f89-9500000000-70f665ef5df160748c7f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6'-Apiosyllotaustralin 10V, Negative-QTOFsplash10-000w-9346000000-b2fb23cdbe4a5335e4052016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6'-Apiosyllotaustralin 20V, Negative-QTOFsplash10-0002-9611000000-b6d0f7c0e7f41cd433df2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6'-Apiosyllotaustralin 40V, Negative-QTOFsplash10-000t-9100000000-ca91c9769fc51fe2ee622016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6'-Apiosyllotaustralin 10V, Negative-QTOFsplash10-0006-0139000000-32130c1d6dda87b83fc02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6'-Apiosyllotaustralin 20V, Negative-QTOFsplash10-03di-5951000000-a580969d5dd6721a27992021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6'-Apiosyllotaustralin 40V, Negative-QTOFsplash10-0ab9-9100000000-bc16333eaf99bb452bd72021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6'-Apiosyllotaustralin 10V, Positive-QTOFsplash10-0036-3139000000-7a68b3aca0000fd813a82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6'-Apiosyllotaustralin 20V, Positive-QTOFsplash10-0a4i-9101000000-f9b73c550c616ad36fd22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6'-Apiosyllotaustralin 40V, Positive-QTOFsplash10-0pb9-9100000000-23fd2ef41e5f3cd0c6bf2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart 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 IDFDB012506
KNApSAcK IDC00054030
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131751537
PDB IDNot Available
ChEBI ID169655
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1841171
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.. .