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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:12:42 UTC
Update Date2022-03-07 02:53:43 UTC
HMDB IDHMDB0033479
Secondary Accession Numbers
  • HMDB33479
Metabolite Identification
Common NameSinapoylspermine
DescriptionSinapoylspermine belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. Sinapoylspermine has been detected, but not quantified in, brassicas. This could make sinapoylspermine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Sinapoylspermine.
Structure
Data?1563862412
SynonymsNot Available
Chemical FormulaC21H36N4O4
Average Molecular Weight408.5349
Monoisotopic Molecular Weight408.27365566
IUPAC Name(2Z)-N-(3-aminopropyl)-N-{4-[(3-aminopropyl)amino]butyl}-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
Traditional Name(2Z)-N-(3-aminopropyl)-N-{4-[(3-aminopropyl)amino]butyl}-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CAS Registry Number70185-65-8
SMILES
COC1=CC(\C=C/C(=O)N(CCCN)CCCCNCCCN)=CC(OC)=C1O
InChI Identifier
InChI=1S/C21H36N4O4/c1-28-18-15-17(16-19(29-2)21(18)27)7-8-20(26)25(14-6-10-23)13-4-3-11-24-12-5-9-22/h7-8,15-16,24,27H,3-6,9-14,22-23H2,1-2H3/b8-7-
InChI KeyWBJCGTCMGYUEFL-FPLPWBNLSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassCinnamic acids and derivatives
Sub ClassHydroxycinnamic acids and derivatives
Direct ParentHydroxycinnamic acids and derivatives
Alternative Parents
Substituents
  • Hydroxycinnamic acid or derivatives
  • Methoxyphenol
  • Dimethoxybenzene
  • M-dimethoxybenzene
  • Anisole
  • Phenoxy compound
  • Phenol ether
  • Styrene
  • Methoxybenzene
  • Alkyl aryl ether
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Tertiary carboxylic acid amide
  • Carboxamide group
  • Amino acid or derivatives
  • Ether
  • Secondary aliphatic amine
  • Carboxylic acid derivative
  • Secondary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Amine
  • Organic nitrogen compound
  • Organic oxide
  • Carbonyl group
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic 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 SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.047 g/LALOGPS
logP1.2ALOGPS
logP-1.2ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)8.29ChemAxon
pKa (Strongest Basic)10.67ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area123.07 ŲChemAxon
Rotatable Bond Count15ChemAxon
Refractivity117.45 m³·mol⁻¹ChemAxon
Polarizability46.02 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+193.78830932474
DeepCCS[M-H]-191.34530932474
DeepCCS[M-2H]-225.72230932474
DeepCCS[M+Na]+200.94930932474
AllCCS[M+H]+199.532859911
AllCCS[M+H-H2O]+197.432859911
AllCCS[M+NH4]+201.432859911
AllCCS[M+Na]+201.932859911
AllCCS[M-H]-196.432859911
AllCCS[M+Na-2H]-197.932859911
AllCCS[M+HCOO]-199.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SinapoylspermineCOC1=CC(\C=C/C(=O)N(CCCN)CCCCNCCCN)=CC(OC)=C1O4799.2Standard polar33892256
SinapoylspermineCOC1=CC(\C=C/C(=O)N(CCCN)CCCCNCCCN)=CC(OC)=C1O3535.7Standard non polar33892256
SinapoylspermineCOC1=CC(\C=C/C(=O)N(CCCN)CCCCNCCCN)=CC(OC)=C1O3859.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Sinapoylspermine,1TMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN)=CC(OC)=C1O[Si](C)(C)C3718.1Semi standard non polar33892256
Sinapoylspermine,1TMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN[Si](C)(C)C)=CC(OC)=C1O3891.2Semi standard non polar33892256
Sinapoylspermine,1TMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN[Si](C)(C)C)=CC(OC)=C1O3841.1Semi standard non polar33892256
Sinapoylspermine,1TMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN)[Si](C)(C)C)=CC(OC)=C1O3750.4Semi standard non polar33892256
Sinapoylspermine,2TMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3841.1Semi standard non polar33892256
Sinapoylspermine,2TMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3562.9Standard non polar33892256
Sinapoylspermine,2TMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3792.2Semi standard non polar33892256
Sinapoylspermine,2TMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3585.6Standard non polar33892256
Sinapoylspermine,2TMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3699.0Semi standard non polar33892256
Sinapoylspermine,2TMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3459.0Standard non polar33892256
Sinapoylspermine,2TMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O3949.0Semi standard non polar33892256
Sinapoylspermine,2TMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O3915.7Standard non polar33892256
Sinapoylspermine,2TMS,isomer #5COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O3819.4Semi standard non polar33892256
Sinapoylspermine,2TMS,isomer #5COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O3705.0Standard non polar33892256
Sinapoylspermine,2TMS,isomer #6COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3968.0Semi standard non polar33892256
Sinapoylspermine,2TMS,isomer #6COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3771.1Standard non polar33892256
Sinapoylspermine,2TMS,isomer #7COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3807.4Semi standard non polar33892256
Sinapoylspermine,2TMS,isomer #7COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3708.4Standard non polar33892256
Sinapoylspermine,2TMS,isomer #8COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3901.1Semi standard non polar33892256
Sinapoylspermine,2TMS,isomer #8COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3772.8Standard non polar33892256
Sinapoylspermine,3TMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3890.0Semi standard non polar33892256
Sinapoylspermine,3TMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3796.2Standard non polar33892256
Sinapoylspermine,3TMS,isomer #10COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3948.5Semi standard non polar33892256
Sinapoylspermine,3TMS,isomer #10COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3789.2Standard non polar33892256
Sinapoylspermine,3TMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3781.7Semi standard non polar33892256
Sinapoylspermine,3TMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3588.2Standard non polar33892256
Sinapoylspermine,3TMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3958.0Semi standard non polar33892256
Sinapoylspermine,3TMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3635.5Standard non polar33892256
Sinapoylspermine,3TMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3770.5Semi standard non polar33892256
Sinapoylspermine,3TMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3602.9Standard non polar33892256
Sinapoylspermine,3TMS,isomer #5COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3896.0Semi standard non polar33892256
Sinapoylspermine,3TMS,isomer #5COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3651.5Standard non polar33892256
Sinapoylspermine,3TMS,isomer #6COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O3898.9Semi standard non polar33892256
Sinapoylspermine,3TMS,isomer #6COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O3880.8Standard non polar33892256
Sinapoylspermine,3TMS,isomer #7COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O4021.2Semi standard non polar33892256
Sinapoylspermine,3TMS,isomer #7COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O3942.6Standard non polar33892256
Sinapoylspermine,3TMS,isomer #8COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O4038.7Semi standard non polar33892256
Sinapoylspermine,3TMS,isomer #8COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3946.8Standard non polar33892256
Sinapoylspermine,3TMS,isomer #9COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3955.3Semi standard non polar33892256
Sinapoylspermine,3TMS,isomer #9COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3783.4Standard non polar33892256
Sinapoylspermine,4TMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3872.4Semi standard non polar33892256
Sinapoylspermine,4TMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3727.6Standard non polar33892256
Sinapoylspermine,4TMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C4020.4Semi standard non polar33892256
Sinapoylspermine,4TMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3794.7Standard non polar33892256
Sinapoylspermine,4TMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C4038.2Semi standard non polar33892256
Sinapoylspermine,4TMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3795.9Standard non polar33892256
Sinapoylspermine,4TMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3951.3Semi standard non polar33892256
Sinapoylspermine,4TMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3674.1Standard non polar33892256
Sinapoylspermine,4TMS,isomer #5COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3945.8Semi standard non polar33892256
Sinapoylspermine,4TMS,isomer #5COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3690.7Standard non polar33892256
Sinapoylspermine,4TMS,isomer #6COC1=CC(/C=C\C(=O)N(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O4057.0Semi standard non polar33892256
Sinapoylspermine,4TMS,isomer #6COC1=CC(/C=C\C(=O)N(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O3903.8Standard non polar33892256
Sinapoylspermine,4TMS,isomer #7COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O4047.1Semi standard non polar33892256
Sinapoylspermine,4TMS,isomer #7COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3901.8Standard non polar33892256
Sinapoylspermine,4TMS,isomer #8COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O4176.1Semi standard non polar33892256
Sinapoylspermine,4TMS,isomer #8COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3960.0Standard non polar33892256
Sinapoylspermine,5TMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C4063.6Semi standard non polar33892256
Sinapoylspermine,5TMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCCN[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3754.9Standard non polar33892256
Sinapoylspermine,5TMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C4058.1Semi standard non polar33892256
Sinapoylspermine,5TMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3749.4Standard non polar33892256
Sinapoylspermine,5TMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C4218.5Semi standard non polar33892256
Sinapoylspermine,5TMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3809.3Standard non polar33892256
Sinapoylspermine,5TMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O4229.5Semi standard non polar33892256
Sinapoylspermine,5TMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O3950.0Standard non polar33892256
Sinapoylspermine,6TMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C4272.7Semi standard non polar33892256
Sinapoylspermine,6TMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C)=CC(OC)=C1O[Si](C)(C)C3798.5Standard non polar33892256
Sinapoylspermine,1TBDMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN)=CC(OC)=C1O[Si](C)(C)C(C)(C)C3989.2Semi standard non polar33892256
Sinapoylspermine,1TBDMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4146.1Semi standard non polar33892256
Sinapoylspermine,1TBDMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4087.5Semi standard non polar33892256
Sinapoylspermine,1TBDMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4001.2Semi standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4357.2Semi standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C3888.0Standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4295.3Semi standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C3910.4Standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4193.3Semi standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C3784.5Standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4456.9Semi standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4186.7Standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #5COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4313.1Semi standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #5COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4021.8Standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #6COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4444.0Semi standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #6COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4068.4Standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #7COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4295.8Semi standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #7COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4024.0Standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #8COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4376.4Semi standard non polar33892256
Sinapoylspermine,2TBDMS,isomer #8COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4068.6Standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4660.3Semi standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4195.6Standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #10COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4617.3Semi standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #10COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4237.7Standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4536.4Semi standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4031.3Standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4673.9Semi standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCCNCCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4083.9Standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4516.6Semi standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4043.6Standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #5COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4606.2Semi standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #5COC1=CC(/C=C\C(=O)N(CCCN)CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4093.5Standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #6COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4652.0Semi standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #6COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4305.0Standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #7COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4747.5Semi standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #7COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4375.2Standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #8COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4767.1Semi standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #8COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4380.9Standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #9COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4623.4Semi standard non polar33892256
Sinapoylspermine,3TBDMS,isomer #9COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4236.5Standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4833.6Semi standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #1COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4246.1Standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4946.5Semi standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #2COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4326.5Standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4967.1Semi standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #3COC1=CC(/C=C\C(=O)N(CCCCNCCCN[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4333.4Standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4833.2Semi standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #4COC1=CC(/C=C\C(=O)N(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4181.4Standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #5COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4828.8Semi standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #5COC1=CC(/C=C\C(=O)N(CCCN)CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O[Si](C)(C)C(C)(C)C4191.5Standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #6COC1=CC(/C=C\C(=O)N(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4946.5Semi standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #6COC1=CC(/C=C\C(=O)N(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4474.5Standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #7COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4936.1Semi standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #7COC1=CC(/C=C\C(=O)N(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4473.1Standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #8COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O5023.5Semi standard non polar33892256
Sinapoylspermine,4TBDMS,isomer #8COC1=CC(/C=C\C(=O)N(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC)=C1O4537.5Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Sinapoylspermine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0540-9445000000-b0ea178a9ee0437306c02017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sinapoylspermine GC-MS (1 TMS) - 70eV, Positivesplash10-000i-9222800000-ab6b7ccd8a0fb90d2f022017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sinapoylspermine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sinapoylspermine 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 - Sinapoylspermine 10V, Positive-QTOFsplash10-052f-1329300000-4179576db0e4394fd77a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sinapoylspermine 20V, Positive-QTOFsplash10-0573-8937000000-fd41d005e7003cda6ab82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sinapoylspermine 40V, Positive-QTOFsplash10-0adu-9700000000-f73e0acfe4a1659d08b62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sinapoylspermine 10V, Negative-QTOFsplash10-0a4i-0011900000-3bcefb8e131178c31c4e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sinapoylspermine 20V, Negative-QTOFsplash10-0pb9-1197300000-3acd412526bf3d20dca12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sinapoylspermine 40V, Negative-QTOFsplash10-00di-5492000000-957172c8d0b84658d7db2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sinapoylspermine 10V, Negative-QTOFsplash10-0a4i-0000900000-e02e1f69e20be3b8f9542021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sinapoylspermine 20V, Negative-QTOFsplash10-0aor-1229200000-4ce1b59d39951130ab892021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sinapoylspermine 40V, Negative-QTOFsplash10-03l3-1189000000-42689c7033c0210cc3162021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sinapoylspermine 10V, Positive-QTOFsplash10-0a4i-0006900000-60726ba7cc99f34c94302021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sinapoylspermine 20V, Positive-QTOFsplash10-0cfu-4319000000-5cd61b20a88b655906b32021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sinapoylspermine 40V, Positive-QTOFsplash10-053u-9210000000-441c3619448f402deda52021-09-25Wishart 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 IDFDB011522
KNApSAcK IDC00058181
Chemspider ID30777010
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131751433
PDB IDNot Available
ChEBI ID175286
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.. .