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2,5-Dimethyl-4-hydroxy-2H-furan-3-one 6'O-malonyl-beta-D-glucopyranoside
PHCD compound ID : 2376
Chemical Names :
2,5-Dimethyl-4-hydroxy-2H-furan-3-one 6'O-malonyl-beta-D-glucopyranoside
Molecular Formula : C15H20O11
Molecular Weight : 376.100561
More Details :
Names & Synonyms:
Smiles: OC(=O)CC(=O)OC[C@H]1O[C@@H](OC2=C(C)O[C@@H](C2=O)C)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C15H20O11/c1-5-10(19)14(6(2)24-5)26-15-13(22)12(21)11(20)7(25-15)4-23-9(18)3-8(16)17/h5,7,11-13,15,20-22H,3-4H2,1-2H3,(H,16,17)/t5-,7-,11-,12+,13-,15+/m1/s1
InChi Key : InChIKey=QJYOBEMAMLWZTF-JNOHPBAZSA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 11 Ionization potential : 9.795631
Hydrogen bond donor count : 4 Electric dipole moment : 3.790
XLogP : -0.613 VDW volume : 329.42997
Molecular weight : 376.100561 HOMO-LUMO gap : 9.168000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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