FL2FA9GS0001

Revision as of 09:00, 15 May 2008

Pinocembrin 7-O-neohesperidoside

Structural Information
Systematic Name	(2S)-2-cyclohexyl-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxychroman-4-one
Common Name	Pinocembrin 7-O-neohesperidoside Pinocembrin 7-rhamnosylglucoside (2S)-2-cyclohexyl-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxychroman-4-one
Symbol
Formula	C27H31HO13
Exact Mass	564.18429111
Average Mass	564.53518
SMILES	`O=C(c41)CC([H])(c(c5)cccc5)Oc(cc(cc4O)OC(C2OC(O3)C(C(O)C(O)C(C)3)O)OC(CO)C(C2O)O)1`
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Species-Flavonoid Relationship Reported

Species	ID	Metabolite Name	Reference
Nierembergia hippomanica	FL2FA9GS0001	See above.	Kutney_JP et al. 1970
Sparattosperma vernicosum	FL2FA9GS0001	See above.	Kutney_JP et al. 1970
Nierembergia hippomanica	FL2FA9GS0001	See above.	Pomilio_AB et al. 1979
Sparattosperma vernicosum	FL2FA9GS0001	See above.	Pomilio_AB et al. 1979
Onychium japonicum	FL2FA9GS0001	See above.	Xu_Y et al. 1993

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 {{Metabolite
 |SysName=(2S)-2-cyclohexyl-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxychroman-4-one
-|Common Name=&&Pinocembrin 7-rhamnosylglucoside&&Pinocembrin 7-O-neohesperidoside&&
+|Common Name=&&Pinocembrin 7-O-neohesperidoside&&Pinocembrin 7-rhamnosylglucoside&&(2S)-2-cyclohexyl-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxychroman-4-one&&
 |CAS=13241-31-1
 |KNApSAcK=C00000993
 }}