Chemical fact sheet: Di-p-coumaroyl glucaric acid

Di-p-coumaroyl glucaric acid

Basics

Category
Hydroxycinnamic & hydroxybenzoic acid derivatives & other organic acid derivatives
IUPAC-name
Formula
No formula stored
Exact mass
None g/mol
Molecular weight
No weights stored
Structure

Sources

In summary, the chemical di-p-coumaroyl glucaric acid has been analyzed from following sources:

Isatis tinctoria French Woad  L.
1st 2nd 3rd 4th 5th 6th 7th

Note that an analysis result in the database may indicate either presence or lack thereof of a chemical in an analyzed sample.

References

  1. T. Nguyen, A. Jamali, E. Grand, K. Morreel, P. Marcelo, E. Gontier, and R. Dauwe, "Phenylpropanoid profiling reveals a class of hydroxycinnamoyl glucaric acid conjugates in Isatis tinctoria leaves," Phytochemistry , vol. 144 , pp. 127–140 , DOI: 10.1016/j.phytochem.2017.09.007 .
  2. T. Nguyen, A. Jamali, E. Grand, K. Morreel, P. Marcelo, E. Gontier, and R. Dauwe, "Phenylpropanoid profiling reveals a class of hydroxycinnamoyl glucaric acid conjugates in Isatis tinctoria leaves," Phytochemistry , vol. 144 , pp. 127–140 , DOI: 10.1016/j.phytochem.2017.09.007 .
  3. T. Nguyen, A. Jamali, E. Grand, K. Morreel, P. Marcelo, E. Gontier, and R. Dauwe, "Phenylpropanoid profiling reveals a class of hydroxycinnamoyl glucaric acid conjugates in Isatis tinctoria leaves," Phytochemistry , vol. 144 , pp. 127–140 , DOI: 10.1016/j.phytochem.2017.09.007 .
  4. T. Nguyen, A. Jamali, E. Grand, K. Morreel, P. Marcelo, E. Gontier, and R. Dauwe, "Phenylpropanoid profiling reveals a class of hydroxycinnamoyl glucaric acid conjugates in Isatis tinctoria leaves," Phytochemistry , vol. 144 , pp. 127–140 , DOI: 10.1016/j.phytochem.2017.09.007 .
  5. T. Nguyen, P. Marcelo, E. Gontier, and R. Dauwec, "Metabolic markers for the yield of lipophilic indole alkaloids in dried woad leaves (Isatis tinctoria L.).," Phytochemistry , vol. 163 , pp. 89-98 , DOI: 10.1016/j.phytochem.2019.04.006 .
  6. T. Nguyen, P. Marcelo, E. Gontier, and R. Dauwec, "Metabolic markers for the yield of lipophilic indole alkaloids in dried woad leaves (Isatis tinctoria L.).," Phytochemistry , vol. 163 , pp. 89-98 , DOI: 10.1016/j.phytochem.2019.04.006 .
  7. T. Nguyen, P. Marcelo, E. Gontier, and R. Dauwec, "Metabolic markers for the yield of lipophilic indole alkaloids in dried woad leaves (Isatis tinctoria L.).," Phytochemistry , vol. 163 , pp. 89-98 , DOI: 10.1016/j.phytochem.2019.04.006 .

Analysis results

Analysis result 1

Detection technique Values Units
[M⁻ H]⁻ 501.10360 m/z
MS²⁻ 163
191
211
327
337
355 		m/z
MS³⁻ 129
163
173
191
231
293
319 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
ESI, LTQ orbitrap, LTQ linear ion trap
Organism
Isatis tinctoria French Woad  L.
cultivated
fresh, frozen, cut into small pieces, frozen in liquid nitrogen
Sample note
The seeds were provided by the botanical garden of Amiens (Jardin des Plantes), France, where specimens of seeds from the strain were kept under accession number 061003-3. The seeds were sown in soil and grown in a greenhouse at 16h/8h day/night regime, 24 C, 70% moisture. The samples ere taken from 11-week-old plants at the rosette stage.
Extraction solvents
methanol
Extraction repeats
2
Extraction time
10 min
Extraction temperature
70 °C
Extract drying method
evaporation in the speed vacuum
Analysis solvents
water: MeOH
Detection note
MS4 (173): 129
References

T. Nguyen, A. Jamali, E. Grand, K. Morreel, P. Marcelo, E. Gontier, and R. Dauwe, "Phenylpropanoid profiling reveals a class of hydroxycinnamoyl glucaric acid conjugates in Isatis tinctoria leaves," Phytochemistry , vol. 144 , pp. 127–140 , DOI: 10.1016/j.phytochem.2017.09.007 .

Analysis result 2

Detection technique Values Units
[M⁻ H]⁻ 501.10380 m/z
MS²⁻ 163
173
191
209
337
355 		m/z
MS³⁻ 129
163
173
191
293
319 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
ESI, LTQ orbitrap, LTQ linear ion trap
Organism
Isatis tinctoria French Woad  L.
cultivated
fresh, frozen, cut into small pieces, frozen in liquid nitrogen
Sample note
The seeds were provided by the botanical garden of Amiens (Jardin des Plantes), France, where specimens of seeds from the strain were kept under accession number 061003-3. The seeds were sown in soil and grown in a greenhouse at 16h/8h day/night regime, 24 C, 70% moisture. The samples ere taken from 11-week-old plants at the rosette stage.
Extraction solvents
methanol
Extraction repeats
2
Extraction time
10 min
Extraction temperature
70 °C
Extract drying method
evaporation in the speed vacuum
Analysis solvents
water: MeOH
Detection note
MS4 (173): 129
References

T. Nguyen, A. Jamali, E. Grand, K. Morreel, P. Marcelo, E. Gontier, and R. Dauwe, "Phenylpropanoid profiling reveals a class of hydroxycinnamoyl glucaric acid conjugates in Isatis tinctoria leaves," Phytochemistry , vol. 144 , pp. 127–140 , DOI: 10.1016/j.phytochem.2017.09.007 .

Analysis result 3

Detection technique Values Units
[M⁻ H]⁻ 501.10350 m/z
MS²⁻ 163
173
191
337
355 		m/z
MS³⁻ 129
163
173
191
293 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
ESI, LTQ orbitrap, LTQ linear ion trap
Organism
Isatis tinctoria French Woad  L.
cultivated
fresh, frozen, cut into small pieces, frozen in liquid nitrogen
Sample note
The seeds were provided by the botanical garden of Amiens (Jardin des Plantes), France, where specimens of seeds from the strain were kept under accession number 061003-3. The seeds were sown in soil and grown in a greenhouse at 16h/8h day/night regime, 24 C, 70% moisture. The samples ere taken from 11-week-old plants at the rosette stage.
Extraction solvents
methanol
Extraction repeats
2
Extraction time
10 min
Extraction temperature
70 °C
Extract drying method
evaporation in the speed vacuum
Analysis solvents
water: MeOH
Detection note
MS4 (191): 147, 173, 129
References

T. Nguyen, A. Jamali, E. Grand, K. Morreel, P. Marcelo, E. Gontier, and R. Dauwe, "Phenylpropanoid profiling reveals a class of hydroxycinnamoyl glucaric acid conjugates in Isatis tinctoria leaves," Phytochemistry , vol. 144 , pp. 127–140 , DOI: 10.1016/j.phytochem.2017.09.007 .

Analysis result 4

Detection technique Values Units
[M⁻ H]⁻ 501.10370 m/z
MS²⁻ 163
173
191
293
337
355 		m/z
MS³⁻ 119
129
147
163
173
191
293 		m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
ESI, LTQ orbitrap, LTQ linear ion trap
Organism
Isatis tinctoria French Woad  L.
cultivated
fresh, frozen, cut into small pieces, frozen in liquid nitrogen
Sample note
The seeds were provided by the botanical garden of Amiens (Jardin des Plantes), France, where specimens of seeds from the strain were kept under accession number 061003-3. The seeds were sown in soil and grown in a greenhouse at 16h/8h day/night regime, 24 C, 70% moisture. The samples ere taken from 11-week-old plants at the rosette stage.
Extraction solvents
methanol
Extraction repeats
2
Extraction time
10 min
Extraction temperature
70 °C
Extract drying method
evaporation in the speed vacuum
Analysis solvents
water: MeOH
Detection note
MS4 (191): 147, 173, 129
References

T. Nguyen, A. Jamali, E. Grand, K. Morreel, P. Marcelo, E. Gontier, and R. Dauwe, "Phenylpropanoid profiling reveals a class of hydroxycinnamoyl glucaric acid conjugates in Isatis tinctoria leaves," Phytochemistry , vol. 144 , pp. 127–140 , DOI: 10.1016/j.phytochem.2017.09.007 .

Analysis result 5

Detection technique Values Units
[M⁻ H]⁻ 501.10360 m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
ESI, LTQ orbitrap, LTQ linear ion trap
Organism
Isatis tinctoria French Woad  L.
cultivated
fresh, frozen, frozen in liquid nitrogen
Sample note
The seeds of Isatis tinctoria L.(strain French Woa; accession number 061003-3) were provided by the botanical garden of Amiens (Jardin des Plantes), France. They were sown in soil and plantlets were grown in greenhouse under the following conditions: 24 °C, 70% moisture and photoperiod 16h. Rosette leaves were harvested from 11-week-old woad plants.
Extraction solvents
methanol
Extraction repeats
2
Extraction time
10 min
Extraction temperature
70 °C
Extract drying method
evaporation in the speed vacuum
Analysis solvents
water: MeOH
Detection note
See (MS-fragments) Nguyen et al. 2017
References

T. Nguyen, P. Marcelo, E. Gontier, and R. Dauwec, "Metabolic markers for the yield of lipophilic indole alkaloids in dried woad leaves (Isatis tinctoria L.).," Phytochemistry , vol. 163 , pp. 89-98 , DOI: 10.1016/j.phytochem.2019.04.006 .

Analysis result 6

Detection technique Values Units
[M⁻ H]⁻ 501.10350 m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
ESI, LTQ orbitrap, LTQ linear ion trap
Organism
Isatis tinctoria French Woad  L.
cultivated
fresh, frozen, frozen in liquid nitrogen
Sample note
The seeds of Isatis tinctoria L.(strain French Woa; accession number 061003-3) were provided by the botanical garden of Amiens (Jardin des Plantes), France. They were sown in soil and plantlets were grown in greenhouse under the following conditions: 24 °C, 70% moisture and photoperiod 16h. Rosette leaves were harvested from 11-week-old woad plants.
Extraction solvents
methanol
Extraction repeats
2
Extraction time
10 min
Extraction temperature
70 °C
Extract drying method
evaporation in the speed vacuum
Analysis solvents
water: MeOH
Detection note
See (MS-fragments) Nguyen et al. 2017
References

T. Nguyen, P. Marcelo, E. Gontier, and R. Dauwec, "Metabolic markers for the yield of lipophilic indole alkaloids in dried woad leaves (Isatis tinctoria L.).," Phytochemistry , vol. 163 , pp. 89-98 , DOI: 10.1016/j.phytochem.2019.04.006 .

Analysis result 7

Detection technique Values Units
[M⁻ H]⁻ 501.10370 m/z
STD
False
TLC
False
UV/Vis detector description
Mass spectrometer description
ESI, LTQ orbitrap, LTQ linear ion trap
Organism
Isatis tinctoria French Woad  L.
cultivated
fresh, frozen, frozen in liquid nitrogen
Sample note
The seeds of Isatis tinctoria L.(strain French Woa; accession number 061003-3) were provided by the botanical garden of Amiens (Jardin des Plantes), France. They were sown in soil and plantlets were grown in greenhouse under the following conditions: 24 °C, 70% moisture and photoperiod 16h. Rosette leaves were harvested from 11-week-old woad plants.
Extraction solvents
methanol
Extraction repeats
2
Extraction time
10 min
Extraction temperature
70 °C
Extract drying method
evaporation in the speed vacuum
Analysis solvents
water: MeOH
Detection note
See (MS-fragments) Nguyen et al. 2017
References

T. Nguyen, P. Marcelo, E. Gontier, and R. Dauwec, "Metabolic markers for the yield of lipophilic indole alkaloids in dried woad leaves (Isatis tinctoria L.).," Phytochemistry , vol. 163 , pp. 89-98 , DOI: 10.1016/j.phytochem.2019.04.006 .