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Galloylquinic acid I
PHCD compound ID : 3190
Chemical Names :
Galloylquinic acid I
Molecular Formula : C14H16O10
Molecular Weight : 344.074347
More Details :
Names & Synonyms: (1R,4S)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-cyclohexanecarboxylic acid , (1R,4S)-1,3,4-trihydroxy-5-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-1-cyclohexanecarboxylic acid , (1R,4S)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid , (1R,4S)-1,3,4-tris(oxidanyl)-5-[3,4,5-tris(oxidanyl)phenyl]carbonyloxy-cyclohexane-1-carboxylic acid , (1R,4S)-3-galloyloxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid
Smiles: O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)OC(=O)c1cc(O)c(c(c1)O)O)C(=O)O
InChi : InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9+,11+,14-/m1/s1
InChi Key : InChIKey=LDPLFHGGZNSKDS-OCYKMNHNSA-N
PubChem ID : 460894
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 10 Ionization potential : 9.465466
Hydrogen bond donor count : 7 Electric dipole moment : 4.755
XLogP : -0.624 VDW volume : 289.8073
Molecular weight : 344.074347 HOMO-LUMO gap : 8.490000
Herb list :
Refrences & Litretures:
  
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'
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