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ScientificNameLabel
Quinic acid
PHCD compound ID : 1700
Chemical Names :
Quinic acid , Quinic acid I
Molecular Formula : C7H12O6
Molecular Weight : 192.063388
More Details :
Names & Synonyms: (3R,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid , (3R,5R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid , (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid , (3R,5R)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid
Smiles: O[C@@H]1[C@H](O)C[C@@](C[C@H]1O)(O)C(=O)O
InChi : InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1
InChi Key : InChIKey=AAWZDTNXLSGCEK-WYWMIBKRSA-N
PubChem ID : 6508
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 10.320508
Hydrogen bond donor count : 5 Electric dipole moment : 2.282
XLogP : -1.979 VDW volume : 167.376794
Molecular weight : 192.063388 HOMO-LUMO gap : 10.533000
Herb list :
Refrences & Litretures:
  
191.      Journal:'Food Chemistry'      Year:'2008'      Volume:'106'      Page:'1195'      DOI:'10.1016/j.foodchem.2007.07.064'      Title:'?-Glucosidase inhibitory e?ect by the ?ower buds of Tussilago farfara L'
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
655.      Journal:'BioMed Research International'      Year:'2014'      Volume:''      Page:'686921'      DOI:'10.1155/2014/686921'      Title:'Pomegranate Fruit as a Rich Source of Biologically Active Compounds'
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
942.      Journal:'Molecules'      Year:'2018'      Volume:'23'      Page:'1247'      DOI:'10.3390/molecules23061247'      Title:'Exploring New Antioxidant and Mineral Compounds from Nymphaea alba Wild-Grown in Danube Delta Biosphere'
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