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valoneic acid dilactone methyl ester
PHCD compound ID : 4362
Chemical Names :
valoneic acid dilactone methyl ester
Molecular Formula : C22H12O13
Molecular Weight : 484.02779
More Details :
Names & Synonyms:
Smiles: COC(=O)c1cc(O)c(c(c1Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O)O)O
InChi : InChI=1S/C22H12O13/c1-32-20(29)7-3-8(23)13(25)16(28)17(7)33-10-4-6-12-11-5(21(30)35-19(12)15(10)27)2-9(24)14(26)18(11)34-22(6)31/h2-4,23-28H,1H3
InChi Key : InChIKey=DMVWRXZGQKWJNG-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 13 Ionization potential : 9.255525
Hydrogen bond donor count : 6 Electric dipole moment : 4.706
XLogP : 2.412 VDW volume : 377.22127
Molecular weight : 484.02779 HOMO-LUMO gap : 7.559000
Herb list :
Refrences & Litretures:
  
645.      Journal:'J. Agric. Food Chem'      Year:'2013'      Volume:'61'      Page:'801'      DOI:'10.1021/jf304002h'      Title:'Chemical Composition, Antioxidative and Anti-In?ammatory Activity of Extracts Prepared from Aerial Parts of Oenothera biennis L. and Oenothera paradoxa Hudziok Obtained after Seeds Cultivation'
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