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ScientificNameLabel
Luteolin-6-C-glucoside
PHCD compound ID : 4103
Chemical Names :
Luteolin-6-C-glucoside
Molecular Formula : C21H19O11
Molecular Weight : 447.092736
More Details :
Names & Synonyms: 2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-5-olate , 2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-5-olate , 2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-5-olate , 2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7-oxidanyl-4-oxidanylidene-chromen-5-olate , 2-(3,4-dihydroxyphenyl)-7-hydroxy-4-keto-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromen-5-olate
Smiles: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1[O-])c(=O)cc(o2)c1ccc(c(c1)O)O
InChi : InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/p-1/t14-,17-,19+,20-,21+/m1/s1
InChi Key : InChIKey=ODBRNZZJSYPIDI-VJXVFPJBSA-M
PubChem ID : 49852298
Rotatable bond count : 3 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 5.251966
Hydrogen bond donor count : 7 Electric dipole moment : 10.238
XLogP : -0.359 VDW volume : 374.828896
Molecular weight : 447.092736 HOMO-LUMO gap : 6.690000
Herb list :
Refrences & Litretures:
  
569.      Journal:'J. Mass Spectrom'      Year:'2003'      Volume:'38'      Page:'35'      DOI:'10.1002/jms.395'      Title:'Liquid chromatographic/electrospray ionization tandem mass spectrometric study of the phenolic composition of cocoa (Theobroma cacao)'
629.      Journal:'Anal Bioanal Chem'      Year:'2016'      Volume:'408'      Page:'3125'      DOI:'10.1007/s00216-016-9376-4'      Title:'Comparative metabolite profiling and fingerprinting of genus Passiflora leaves using a multiplex approach of UPLC-MS and NMR analyzed by chemometric tools'
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