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ScientificNameLabel
Pelargonidin-3-O-monoglucuronide
PHCD compound ID : 4067
Chemical Names :
Pelargonidin-3-O-monoglucuronide
Molecular Formula : C21H19O11
Molecular Weight : 447.092736
More Details :
Names & Synonyms:
Smiles: Oc1ccc(cc1)c1[o+]c2cc(O)cc(c2cc1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O
InChi : InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)18-14(7-11-12(24)5-10(23)6-13(11)30-18)31-21-17(27)15(25)16(26)19(32-21)20(28)29/h1-7,15-17,19,21,25-27H,(H3-,22,23,24,28,29)/p+1/t15-,16-,17+,19-,21+/m0/s1
InChi Key : InChIKey=NGHXHBVEMHFVRV-BHWDSYMASA-O
PubChem ID :
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 12.330505
Hydrogen bond donor count : 7 Electric dipole moment : 4.644
XLogP : 0 VDW volume : 0
Molecular weight : 447.092736 HOMO-LUMO gap : 6.771000
Herb list :
Refrences & Litretures:
  
559.      Journal:'Evidence-Based Complementary and Alternative Medicine'      Year:'2013'      Volume:''      Page:'579319'      DOI:'10.1155/2013/579319'      Title:'Cichorium intybus: Traditional Uses, Phytochemistry, Pharmacology, and Toxicology'
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