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Displaying natural products 76 - 100 of 40908 in total
NP-MRD ID
CAS Number
Compound Name Species of OriginChemical StructureChemical Formula
Average Mass
Monoisotopic Mass
NMR Spectra
17a-Hydroxypregnenolone
  • Animalia
ThumbC21H32O3

332.4770 Da
332.23514 Da
1H NMR Spectrum (1D, 600 MHz, 100%_DMSO, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)
Cyclic AMP
  • Animalia
  • Eubacteria
ThumbC10H12N5O6P

329.2059 Da
329.05252 Da
1H NMR Spectrum (1D, 600 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)
Citrulline
  • All
ThumbC6H13N3O3

175.1857 Da
175.09569 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)
2-Isopropylmalic acid
  • Eubacteria
  • Plantae
  • Fungi
ThumbC7H12O5

176.1672 Da
176.06847 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
1-Butanol
  • Animalia
  • Plantae
  • Eubacteria
  • Fungi
ThumbC4H10O

74.1216 Da
74.07316 Da
1H NMR Spectrum (1D, 600 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, 600 MHz, H2O, experimental)
Glycerol 3-phosphate
  • Arabidopsis thaliana
  • Asparagus officinalis
  • Panax ginseng
  • Rosmarinus officinalis
  • Salvia miltiorrhiza
  • Salvia splendens
  • Solanum tuberosum
  • (show allshow less)
ThumbC3H9O6P

172.0737 Da
172.01367 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 1H] 2D NMR Spectrum (experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Uridine diphosphate glucuronic acid
  • Animalia
  • Eubacteria
  • Fungi
ThumbC15H22N2O18P2

580.2853 Da
580.03428 Da
1H NMR Spectrum (1D, D2O, experimental)
13C NMR Spectrum (1D, D2O, experimental)
Epietiocholanolone
  • Animalia
ThumbC19H30O2

290.4403 Da
290.22458 Da
1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
1,5-Anhydrosorbitol
  • Triticum aestivum
ThumbC6H12O5

164.1565 Da
164.06847 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
Hippuric acid
  • Persea americana
ThumbC9H9NO3

179.1727 Da
179.05824 Da
13C NMR Spectrum (1D, 400 MHz, H2O, experimental)
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
1H NMR Spectrum (1D, 90 MHz, DMSO-d6, experimental)
13C NMR Spectrum (1D, 15 MHz, DMSO-d6, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Aminoadipic acid
  • Animalia
  • Plantae
ThumbC6H11NO4

161.1558 Da
161.06881 Da
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
1H NMR Spectrum (1D, 500 MHz, D2O, experimental)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
[1H, 13C] NMR Spectrum (2D, 500 MHz, D2O, experimental)
[1H, 13C] NMR Spectrum (2D, 500 MHz, D2O, experimental)
7-Dehydrocholesterol
  • Animalia
ThumbC27H44O

384.6377 Da
384.33922 Da
1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
N-Methyl-D-aspartic acid
  • Bos┬átaurus
ThumbC5H9NO4

147.1293 Da
147.05316 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Citric acid
  • All
ThumbC6H8O7

192.1235 Da
192.02700 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
13C NMR Spectrum (1D, 400 MHz, H2O, experimental)
1H NMR Spectrum (1D, 400 MHz, DMSO-d6, experimental)
13C NMR Spectrum (1D, 23 MHz, DMSO-d6, experimental)
1H NMR Spectrum (1D, D2O, experimental)
1H NMR Spectrum (1D, D2O, 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)
Valeric acid
  • Coffea arabica
  • Durio zibethinus
  • Valeriana officinalis
ThumbC5H10O2

102.1317 Da
102.06808 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
1H NMR Spectrum (1D, 90 MHz, CDCl3, experimental)
13C NMR Spectrum (1D, 25 MHz, CDCl3, experimental)
1H NMR Spectrum (1D, D2O, experimental)
13C NMR Spectrum (1D, D2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Sulfolithocholic acid
  • Animalia
ThumbC24H40O6S

456.6360 Da
456.25456 Da
1H NMR Spectrum (1D, 600 MHz, 100%_DMSO, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)
2-Ketohexanoic acid
  • Animalia
ThumbC6H10O3

130.1418 Da
130.06299 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
3,4-Dihydroxyhydrocinnamic acid
  • Plantae
  • Eubacteria
ThumbC9H10O4

182.1733 Da
182.05791 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Methyl hippurate
  • Animalia
ThumbC10H11NO3

193.1992 Da
193.07389 Da
1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
Quinone
  • Animalia
  • Eubacteria
  • Plantae
ThumbC6H4O2

108.0948 Da
108.02113 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
1H NMR Spectrum (1D, 300 MHz, CDCl3, experimental)
13C NMR Spectrum (1D, 25 MHz, CDCl3, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, 5%_DMSO, experimental)
N-Acetyllactosamine
  • Animalia
ThumbC14H25NO11

383.3484 Da
383.14276 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
2-Furoylglycine
  • Animalia
  • Eubacteria
ThumbC7H7NO4

169.1348 Da
169.03751 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
L-Arginine
  • All
ThumbC6H14N4O2

174.2010 Da
174.11168 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)
Phosphocreatine
  • Animalia
  • Fungi
ThumbC4H10N3O5P

211.1131 Da
211.03581 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
[1H, 1H] 2D NMR Spectrum (experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Phenol
  • Animalia
ThumbC6H6O

94.1112 Da
94.04186 Da
1H NMR Spectrum (1D, 600 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)
Displaying natural products 76 - 100 of 40908 in total