FL7AAAGL0038

Revision as of 09:00, 25 July 2008

Monardaein

Structural Information
Systematic Name	5- [ [ 4-O,6-O-Bis (carboxyacetyl) -beta-D-glucopyranosyl ] oxy ] -7-hydroxy-2- (4-hydroxyphenyl) -3- [ [ 6-O- [ (E) -3- (4-hydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -1-benzopyrylium
Common Name	Monardaein 5- [ [ 4-O,6-O-Bis (carboxyacetyl) -beta-D-glucopyranosyl ] oxy ] -7-hydroxy-2- (4-hydroxyphenyl) -3- [ [ 6-O- [ (E) -3- (4-hydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -1-benzopyrylium
Symbol
Formula	C42H41O23
Exact Mass	913.203862618
Average Mass	913.7611400000001
SMILES	`O=C(OCC(O1)[C@@H]([C@H](O)[C@H](O)[C@@H]1Oc(c26)cc(cc2[o+1]c(c(c6)O[C@H](O4)C(C([C@@H](O)[C@H]4COC(=O)C=Cc(c5)ccc(c5)O)O)O)c(c3)ccc(O)c3)O)OC(CC(O)=O)=O)CC(O)=O`
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
Agastache aurantiaca	FL7AAAGL0038	See above.	Kondo_T et al. 1985
Gilia coronopifolia	FL7AAAGL0038	See above.	Kondo_T et al. 1985
Hyacinthus orientalis	FL7AAAGL0038	See above.	Kondo_T et al. 1985
Monarda didyma	FL7AAAGL0038	See above.	Kondo_T et al. 1985
Salvia spp.	FL7AAAGL0038	See above.	Kondo_T et al. 1985
Salvia splendens	FL7AAAGL0038	See above.	Kondo_T et al. 1989
Agastache aurantiaca	FL7AAAGL0038	See above.	Saito_N et al. 1992
Gilia coronopifolia	FL7AAAGL0038	See above.	Saito_N et al. 1992
Hyacinthus orientalis	FL7AAAGL0038	See above.	Saito_N et al. 1992
Monarda didyma	FL7AAAGL0038	See above.	Saito_N et al. 1992
Salvia spp.	FL7AAAGL0038	See above.	Saito_N et al. 1992

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 {{Metabolite
-|SysName=5-[[4-O,6-O-Bis(carboxyacetyl)-beta-D-glucopyranosyl]oxy]-7-hydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-1-benzopyrylium
+|SysName=5- [ [ 4-O,6-O-Bis (carboxyacetyl) -beta-D-glucopyranosyl ] oxy ] -7-hydroxy-2- (4-hydroxyphenyl) -3- [ [ 6-O- [ (E) -3- (4-hydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -1-benzopyrylium
-|Common Name=&&Monardaein&&5-[[4-O,6-O-Bis(carboxyacetyl)-beta-D-glucopyranosyl]oxy]-7-hydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-1-benzopyrylium&&
+|Common Name=&&Monardaein&&5- [ [ 4-O,6-O-Bis (carboxyacetyl) -beta-D-glucopyranosyl ] oxy ] -7-hydroxy-2- (4-hydroxyphenyl) -3- [ [ 6-O- [ (E) -3- (4-hydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -1-benzopyrylium&&
 |CAS=144606-89-3
 |KNApSAcK=C00006777
 }}