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Displaying natural products 51 - 75 of 40908 in total
NP-MRD ID
CAS Number
Compound Name Species of OriginChemical StructureChemical Formula
Average Mass
Monoisotopic Mass
NMR Spectra
Gamma-Butyrolactone
  • Coffea arabica
  • Coffea canephora
  • Mandragora autumnalis
  • Prunus avium
ThumbC4H6O2

86.0892 Da
86.03678 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
13C NMR Spectrum (1D, 25 MHz, CDCl3, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Pyroglutamic acid
  • Animalia
ThumbC5H7NO3

129.1140 Da
129.04259 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
N-Acetyl-L-aspartic acid
  • Animalia
ThumbC6H9NO5

175.1394 Da
175.04807 Da
13C NMR Spectrum (1D, 400 MHz, H2O, experimental)
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Piperine
  • Piper acutisleginum
  • Piper betle
  • Piper chaba
  • Piper guineense Schum.et Thom.
  • Piper khasiana
  • Piper longum
  • Piper nigrum
  • Piper officinarum
  • Piper retrofractum Vahl.
  • Piper thomsoni
  • Piper trichostachyon
  • (show allshow less)
Data?1628564077C17H19NO3

285.3377 Da
285.13649 Da
1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
13C NMR Spectrum (1D, 25 MHz, D2O, predicted)
1H NMR Spectrum (1D, 100 MHz, D2O, predicted)
13C NMR Spectrum (1D, 252 MHz, D2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)
13C NMR Spectrum (1D, 50 MHz, D2O, predicted)
1H NMR Spectrum (1D, 200 MHz, D2O, predicted)
13C NMR Spectrum (1D, 75 MHz, D2O, predicted)
1H NMR Spectrum (1D, 300 MHz, D2O, predicted)
13C NMR Spectrum (1D, 101 MHz, D2O, predicted)
1H NMR Spectrum (1D, 400 MHz, D2O, predicted)
13C NMR Spectrum (1D, 126 MHz, D2O, predicted)
1H NMR Spectrum (1D, 500 MHz, D2O, predicted)
13C NMR Spectrum (1D, 151 MHz, D2O, predicted)
1H NMR Spectrum (1D, 600 MHz, D2O, predicted)
13C NMR Spectrum (1D, 176 MHz, D2O, predicted)
1H NMR Spectrum (1D, 700 MHz, D2O, predicted)
13C NMR Spectrum (1D, 201 MHz, D2O, predicted)
1H NMR Spectrum (1D, 800 MHz, D2O, predicted)
13C NMR Spectrum (1D, 226 MHz, D2O, predicted)
1H NMR Spectrum (1D, 900 MHz, D2O, predicted)
alpha-Ketoisovaleric acid
  • Arabidopsis thaliana
  • Capsicum annuum
ThumbC5H8O3

116.1152 Da
116.04734 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
1H NMR Spectrum (1D, D2O, experimental)
13C NMR Spectrum (1D, D2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
[1H, 1H] 2D NMR Spectrum (experimental)
Orotidine
  • Phaseolus vulgaris
Data?1628564077C10H12N2O8

288.2109 Da
288.05937 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
13C NMR Spectrum (1D, 25 MHz, D2O, predicted)
1H NMR Spectrum (1D, 100 MHz, D2O, predicted)
13C NMR Spectrum (1D, 252 MHz, D2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)
13C NMR Spectrum (1D, 50 MHz, D2O, predicted)
1H NMR Spectrum (1D, 200 MHz, D2O, predicted)
13C NMR Spectrum (1D, 75 MHz, D2O, predicted)
1H NMR Spectrum (1D, 300 MHz, D2O, predicted)
13C NMR Spectrum (1D, 101 MHz, D2O, predicted)
1H NMR Spectrum (1D, 400 MHz, D2O, predicted)
13C NMR Spectrum (1D, 126 MHz, D2O, predicted)
1H NMR Spectrum (1D, 500 MHz, D2O, predicted)
13C NMR Spectrum (1D, 151 MHz, D2O, predicted)
1H NMR Spectrum (1D, 600 MHz, D2O, predicted)
13C NMR Spectrum (1D, 176 MHz, D2O, predicted)
1H NMR Spectrum (1D, 700 MHz, D2O, predicted)
13C NMR Spectrum (1D, 201 MHz, D2O, predicted)
1H NMR Spectrum (1D, 800 MHz, D2O, predicted)
13C NMR Spectrum (1D, 226 MHz, D2O, predicted)
1H NMR Spectrum (1D, 900 MHz, D2O, predicted)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Deoxycorticosterone
  • Animalia
ThumbC21H30O3

330.4611 Da
330.21949 Da
1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
13C NMR Spectrum (1D, 25 MHz, CDCl3, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
Adenosine monophosphate
  • Camellia irrawadiensisia
  • Camellia kissi
  • Camellia ptilophylla
  • Camellia sinensis
  • Camellia taliensis
  • Camellia toliensis
  • Citrus maxima
  • Coffea arabica
  • Coffea canephora
  • Coffea dewevrei
  • Coffea eugeniodes
  • Coffea kianjavatensis
  • Coffea liberica
  • Coffea racemosa
  • Coffea salvatrix
  • Cola sp.
  • Ilex paraguariensis
  • Paullinia cupana
  • Theobroma cacao
  • Theobroma grandiflorum
  • (show allshow less)
ThumbC10H14N5O7P

347.2212 Da
347.06308 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 1H] 2D NMR Spectrum (experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Glyoxylic acid
  • All
ThumbC2H2O3

74.0355 Da
74.00039 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
1H NMR Spectrum (1D, D2O, experimental)
13C NMR Spectrum (1D, D2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Caffeic acid
  • Animalia
  • Plantae
ThumbC9H8O4

180.1574 Da
180.04226 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
1H NMR Spectrum (1D, 90 MHz, DMSO-d6, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Phosphoserine
  • Arabidopsis thaliana
ThumbC3H8NO6P

185.0725 Da
185.00892 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
1H NMR Spectrum (1D, D2O, experimental)
13C NMR Spectrum (1D, D2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Hyodeoxycholic acid
  • Animalia
ThumbC24H40O4

392.5720 Da
392.29266 Da
1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
5-Hydroxyindoleacetic acid
  • Animalia
ThumbC10H9NO3

191.1834 Da
191.05824 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Propylene glycol
  • Animalia
ThumbC3H8O2

76.0944 Da
76.05243 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
1H NMR Spectrum (1D, 90 MHz, CDCl3, experimental)
13C NMR Spectrum (1D, 15 MHz, CDCl3, experimental)
1H NMR Spectrum (1D, D2O, experimental)
13C NMR Spectrum (1D, D2O, experimental)
[1H, 13C] NMR Spectrum (2D, 500 MHz, H2O, experimental)
Oxoglutaric acid
  • All
ThumbC5H6O5

146.0981 Da
146.02152 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
13C NMR Spectrum (1D, 400 MHz, H2O, experimental)
1H NMR Spectrum (1D, 400 MHz, DMSO-d6, experimental)
13C NMR Spectrum (1D, 101 MHz, DMSO-d6, experimental)
1H NMR Spectrum (1D, D2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
6-Hydroxydopamine
  • Animalia
ThumbC8H11NO3

169.1778 Da
169.07389 Da
1H NMR Spectrum (1D, 600 MHz, 100%_DMSO, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)
3,4,5-Trimethoxycinnamic acid
  • Animalia
  • Plantae
ThumbC12H14O5

238.2366 Da
238.08412 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
cis-4-Octenedioic acid
  • Animalia
ThumbC8H12O4

172.1785 Da
172.07356 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Maltotetraose
  • Eubacteria
Data?1628564077C24H42O21

666.5777 Da
666.22186 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
13C NMR Spectrum (1D, 25 MHz, D2O, predicted)
1H NMR Spectrum (1D, 100 MHz, D2O, predicted)
13C NMR Spectrum (1D, 252 MHz, D2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)
13C NMR Spectrum (1D, 50 MHz, D2O, predicted)
1H NMR Spectrum (1D, 200 MHz, D2O, predicted)
13C NMR Spectrum (1D, 75 MHz, D2O, predicted)
1H NMR Spectrum (1D, 300 MHz, D2O, predicted)
13C NMR Spectrum (1D, 101 MHz, D2O, predicted)
1H NMR Spectrum (1D, 400 MHz, D2O, predicted)
13C NMR Spectrum (1D, 126 MHz, D2O, predicted)
1H NMR Spectrum (1D, 500 MHz, D2O, predicted)
13C NMR Spectrum (1D, 151 MHz, D2O, predicted)
1H NMR Spectrum (1D, 600 MHz, D2O, predicted)
13C NMR Spectrum (1D, 176 MHz, D2O, predicted)
1H NMR Spectrum (1D, 700 MHz, D2O, predicted)
13C NMR Spectrum (1D, 201 MHz, D2O, predicted)
1H NMR Spectrum (1D, 800 MHz, D2O, predicted)
13C NMR Spectrum (1D, 226 MHz, D2O, predicted)
1H NMR Spectrum (1D, 900 MHz, D2O, predicted)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Methyl propenyl ketone
  • Animalia
  • Plantae
ThumbC5H8O

84.1164 Da
84.05751 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 500 MHz, H2O, experimental)
Mevalonic acid
  • Arabidopsis thaliana
  • Asparagus officinalis
  • Chamaemelum nobile
  • Clausena lansium
  • Gentiana straminea
  • Matricaria recutita
  • Momordica charantia
  • Panax ginseng
  • Polygonum minus
  • Rosmarinus officinalis
  • Salvia miltiorrhiza
  • Salvia splendens
  • Santalum album
  • Tripterygium wilfordii
  • (show allshow less)
ThumbC6H12O4

148.1571 Da
148.07356 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Sphinganine
  • Arabidopsis thaliana
  • Curcuma longa
ThumbC18H39NO2

301.5078 Da
301.29808 Da
1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
Ornithine
  • All
ThumbC5H12N2O2

132.1610 Da
132.08988 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
13C NMR Spectrum (1D, 400 MHz, H2O, experimental)
1H NMR Spectrum (1D, D2O, experimental)
[1H, 1H] 2D NMR Spectrum (experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
L-Cysteine
  • All
ThumbC3H7NO2S

121.1580 Da
121.01975 Da
13C NMR Spectrum (1D, 400 MHz, H2O, experimental)
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
1H NMR Spectrum (1D, D2O, experimental)
[1H, 1H] 2D NMR Spectrum (experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Inosinic acid
  • All
ThumbC10H13N4O8P

348.2060 Da
348.04710 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
1H NMR Spectrum (1D, D2O, experimental)
13C NMR Spectrum (1D, D2O, experimental)
[1H, 1H] 2D NMR Spectrum (experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Displaying natural products 51 - 75 of 40908 in total