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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:45:02 UTC
Update Date2022-03-07 02:53:05 UTC
HMDB IDHMDB0031724
Secondary Accession Numbers
  • HMDB31724
Metabolite Identification
Common NameMoringyne
DescriptionMoringyne belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Based on a literature review very few articles have been published on Moringyne.
Structure
Data?1563862161
Synonyms
ValueSource
b-D-Glucopyranosyl 2,6-dimethylbenzoateHMDB
3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,6-dimethylbenzoic acidHMDB
Chemical FormulaC15H20O7
Average Molecular Weight312.3151
Monoisotopic Molecular Weight312.120902994
IUPAC Name3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,6-dimethylbenzoate
Traditional Name3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,6-dimethylbenzoate
CAS Registry Number97400-73-2
SMILES
CC1=CC=CC(C)=C1C(=O)OC1OC(CO)C(O)C(O)C1O
InChI Identifier
InChI=1S/C15H20O7/c1-7-4-3-5-8(2)10(7)14(20)22-15-13(19)12(18)11(17)9(6-16)21-15/h3-5,9,11-13,15-19H,6H2,1-2H3
InChI KeyQQHRYSLWMCEKRX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Benzoate ester
  • Benzoic acid or derivatives
  • M-xylene
  • Xylene
  • Benzoyl
  • Monocyclic benzene moiety
  • Oxane
  • Benzenoid
  • Carboxylic acid ester
  • Secondary alcohol
  • Polyol
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Oxacycle
  • Acetal
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Primary alcohol
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility14010 mg/L @ 25 °C (est)The Good Scents Company Information System
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 IDFDB008387
KNApSAcK IDC00057712
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131751186
PDB IDNot Available
ChEBI ID168007
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1827621
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.. .