Miquelianin

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Formula C21H18O13
IUPAC Name (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 478.360 g·mol−1
Heat of Formation -2026.7 ± 16.7 kJ·mol−1
Dipole Moment 8.85 ± 1.08 D
Volume 489.34 Å 3
Surface Area 409.38 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-keto-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-chromenyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(.beta.-d-glucopyranuronosyloxy)-5,7-dihydroxy-
  • acon1_000029
  • megxp0_000321
  • quercetin 3-o-.beta.-d-glucuronide
InChIKey DUBCCGAQYVUYEU-ZUGPOPFOSA-N
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