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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:38:32 UTC
Update Date2022-03-07 02:52:39 UTC
HMDB IDHMDB0030704
Secondary Accession Numbers
  • HMDB30704
Metabolite Identification
Common NameTaxiphyllin
DescriptionTaxiphyllin belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group. Taxiphyllin has been detected, but not quantified in, several different foods, such as pine nuts (Pinus), triticales (X Triticosecale rimpaui), cornmints (Mentha arvensis), passion fruits (Passiflora edulis), and tarragons (Artemisia dracunculus). This could make taxiphyllin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Taxiphyllin.
Structure
Thumb
Synonyms
ValueSource
(R)-4-Hydroxymandelonitrile beta-D-glucosideHMDB
(R)-P-Hydroxymandelonitrile-D-glucopyranosideHMDB
Phyllanthin?HMDB
Phyllanthoside?HMDB
Chemical FormulaC14H17NO7
Average Molecular Weight311.2873
Monoisotopic Molecular Weight311.100501903
IUPAC Name2-(4-hydroxyphenyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
Traditional Namedhurrin
CAS Registry Number21401-21-8
SMILES
OCC1OC(OC(C#N)C2=CC=C(O)C=C2)C(O)C(O)C1O
InChI Identifier
InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2
InChI KeyNVLTYOJHPBMILU-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
  • Hexose monosaccharide
  • O-glycosyl compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Monosaccharide
  • Oxane
  • Benzenoid
  • Secondary alcohol
  • Polyol
  • Oxacycle
  • Nitrile
  • Carbonitrile
  • Acetal
  • Organoheterocyclic compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Alcohol
  • Organopnictogen compound
  • Organic nitrogen compound
  • Primary alcohol
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point176 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
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 IDFDB002625
KNApSAcK IDC00001442
Chemspider ID3673919
KEGG Compound IDC01855
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound4475719
PDB IDNot Available
ChEBI ID16267
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. Kojima M, Poulton JE, Thayer SS, Conn EE: Tissue Distributions of Dhurrin and of Enzymes Involved in Its Metabolism in Leaves of Sorghum bicolor. Plant Physiol. 1979 Jun;63(6):1022-8. [PubMed:16660850 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .