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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 03:10:47 UTC
Update Date2022-03-07 02:57:02 UTC
HMDB IDHMDB0041489
Secondary Accession Numbers
  • HMDB41489
Metabolite Identification
Common Name5''-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-D-xylopyranoside
Description5''-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-D-xylopyranoside belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. 5''-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-D-xylopyranoside has been detected, but not quantified in, green vegetables. This could make 5''-(4-hydroxy-(e)-cinnamoyl) alpha-L-arabinofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-D-xylopyranoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 5''-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-D-xylopyranoside.
Structure
Thumb
Synonyms
ValueSource
5''-(4-Hydroxy-(e)-cinnamoyl) a-L-arabinofuranosyl-(1->3)-b-D-xylopyranosyl-(1->4)-D-xylopyranosideGenerator
5''-(4-Hydroxy-(e)-cinnamoyl) α-L-arabinofuranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-D-xylopyranosideGenerator
4-Coumaroyl arabinoxylanHMDB
PAXXHMDB
[5-({3,5-dihydroxy-2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-4-yl}oxy)-3,4-dihydroxyoxolan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acidGenerator
Chemical FormulaC24H32O15
Average Molecular Weight560.5019
Monoisotopic Molecular Weight560.174120354
IUPAC Name[5-({3,5-dihydroxy-2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-4-yl}oxy)-3,4-dihydroxyoxolan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Traditional Name[5-({3,5-dihydroxy-2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-4-yl}oxy)-3,4-dihydroxyoxolan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
CAS Registry Number102254-69-3
SMILES
OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2C(O)COC(OC3COC(O)C(O)C3O)C2O)C1O
InChI Identifier
InChI=1S/C24H32O15/c25-11-4-1-10(2-5-11)3-6-15(27)34-8-13-17(29)19(31)24(38-13)39-21-12(26)7-36-23(20(21)32)37-14-9-35-22(33)18(30)16(14)28/h1-6,12-14,16-26,28-33H,7-9H2/b6-3+
InChI KeyUCYLGUASAJXASI-ZZXKWVIFSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentOligosaccharides
Alternative Parents
Substituents
  • Oligosaccharide
  • Coumaric acid ester
  • Cinnamic acid or derivatives
  • Coumaric acid or derivatives
  • Hydroxycinnamic acid or derivatives
  • Cinnamic acid ester
  • Glycosyl compound
  • O-glycosyl compound
  • Styrene
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • Fatty acid ester
  • Benzenoid
  • Monocyclic benzene moiety
  • Oxane
  • Fatty acyl
  • Enoate ester
  • Tetrahydrofuran
  • Alpha,beta-unsaturated carboxylic ester
  • Secondary alcohol
  • Carboxylic acid ester
  • Hemiacetal
  • Oxacycle
  • Acetal
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Polyol
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic 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 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 IDFDB021458
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14632958
PDB IDNot Available
ChEBI IDNot Available
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.. .