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Displaying natural products 1326 - 1350 of 290034 in total
NP-MRD ID
CAS Number
Compound Name Species of OriginChemical StructureChemical Formula
Average Mass
Monoisotopic Mass
NMR Spectra
cis-3-chloroacrylic acid
  • Not Available
ThumbC3H3ClO2

106.5080 Da
105.98216 Da
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
1H NMR Spectrum (1D, 400 MHz, D2O, experimental)
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
N-Carbamyl-L-glutamic acid
  • Not Available
ThumbC6H10N2O5

190.1540 Da
190.05897 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
L-Cysteic acid
  • Anas platyrhynchos
  • Anatidae
  • Anser anser
  • Apis cerana
  • Bison bison
  • Bos taurus X Bison bison
  • Bos taurus
  • Bubalus bubalis
  • Capra aegagrus hircus
  • Cervidae
  • Cervus canadensis
  • Claviceps purpurea
  • Columba
  • Columbidae
  • Dromaius novaehollandiae
  • Equus caballus
  • Gallus gallus
  • Lagopus muta
  • Leporidae
  • Lepus timidus
  • Melanitta fusca
  • Meleagris gallopavo
  • Numida meleagris
  • Odocoileus
  • Oryctolagus
  • Ovis aries
  • Phasianidae
  • Phasianus colchicus
  • Pseudotsuga menziesii
  • Puccinia graminis
  • Struthio camelus
  • Sus scrofa
  • Sus scrofa domestica
  • (show allshow less)
ThumbC3H7NO5S

169.1560 Da
169.00449 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
(R)-(-)-Pantolactone
  • Not Available
ThumbC6H10O3

130.1418 Da
130.06299 Da
13C NMR Spectrum (1D, 25 MHz, D2O, predicted)
13C NMR Spectrum (1D, 252 MHz, D2O, predicted)
13C NMR Spectrum (1D, 50 MHz, D2O, predicted)
13C NMR Spectrum (1D, 75 MHz, D2O, predicted)
13C NMR Spectrum (1D, 101 MHz, D2O, predicted)
13C NMR Spectrum (1D, 126 MHz, D2O, predicted)
13C NMR Spectrum (1D, 151 MHz, D2O, predicted)
13C NMR Spectrum (1D, 176 MHz, D2O, predicted)
13C NMR Spectrum (1D, 201 MHz, D2O, predicted)
13C NMR Spectrum (1D, 226 MHz, D2O, predicted)
4-Chlorophenylacetate
  • Apis cerana
ThumbC8H7ClO2

170.5930 Da
170.01346 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
alpha-((Methylamino)methyl)benzyl alcohol
  • Not Available
ThumbC9H13NO

151.2090 Da
151.09971 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
DL-Methionine sulfoxide
  • Not Available
ThumbC5H11NO3S

165.2110 Da
165.04596 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
Ethanesulfonic acid
  • Not Available
ThumbC2H5O3S

109.1200 Da
108.99649 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
DL-alpha,epsilon-Diaminopimelic acid
  • Not Available
ThumbC7H14N2O4

190.1971 Da
190.09536 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
Ala-Ala
  • Arabidopsis thaliana
  • Escherichia coli
  • Paraburkholderia phymatum
ThumbC6H12N2O3

160.1711 Da
160.08479 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
Tropic acid
  • Datura stamonium
  • Erythroxylum australe
  • Mandragora autumnalis
ThumbC9H10O3

166.1760 Da
166.06299 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
p-Toluic acid
  • Aloe africana
  • Artemisia afra
  • Homo sapiens
  • Solanum tuberosum
ThumbC8H8O2

136.1479 Da
136.05243 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
Acetylenedicarboxylic acid
  • Not Available
ThumbC4H2O4

114.0560 Da
113.99531 Da
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
4-Chlorocatechol
  • Not Available
ThumbC6H5ClO2

144.5560 Da
143.99781 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
5-Methylcytosine
  • Anas platyrhynchos
  • Anatidae
  • Anser anser
  • Bison bison
  • Bos taurus X Bison bison
  • Bos taurus
  • Bubalus bubalis
  • Capra aegagrus hircus
  • Cervidae
  • Cervus canadensis
  • Columba
  • Columbidae
  • Dromaius novaehollandiae
  • Equus caballus
  • Gallus gallus
  • Lagopus muta
  • Leporidae
  • Lepus timidus
  • Luffa acutangula
  • Melanitta fusca
  • Meleagris gallopavo
  • Numida meleagris
  • Odocoileus
  • Oryctolagus
  • Ovis aries
  • Phasianidae
  • Phasianus colchicus
  • Struthio camelus
  • Sus scrofa
  • Sus scrofa domestica
  • (show allshow less)
ThumbC5H7N3O

125.1286 Da
125.05891 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
4-Hydroxy-3-methoxycinnamaldehyde
  • Not Available
ThumbC10H10O3

178.1846 Da
178.06299 Da
1H NMR Spectrum (1D, 800 MHz, CD3OD, experimental)
1H NMR Spectrum (1D, 800 MHz, CD3OD, experimental)
1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
R-(-)-Citramalic acid
  • Arabidopsis thaliana
  • Hylocereus undatus
  • Lotus corniculatus
  • Lotus uliginosus
ThumbC5H8O5

148.1140 Da
148.03717 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
DL-Homocysteine
  • Not Available
ThumbC4H9NO2S

135.1800 Da
135.03540 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
Cyclohexanol
  • Abelmoschus esculentus
  • Gossypium hirsutum
  • Monodora myristica
  • Ocimum basilicum
  • Solanum lycopersicum var. lycopersicum
ThumbC6H12O

100.1589 Da
100.08882 Da
13C NMR Spectrum (1D, 25 MHz, D2O, predicted)
13C NMR Spectrum (1D, 252 MHz, D2O, predicted)
13C NMR Spectrum (1D, 50 MHz, D2O, predicted)
13C NMR Spectrum (1D, 75 MHz, D2O, predicted)
13C NMR Spectrum (1D, 101 MHz, D2O, predicted)
13C NMR Spectrum (1D, 126 MHz, D2O, predicted)
13C NMR Spectrum (1D, 151 MHz, D2O, predicted)
13C NMR Spectrum (1D, 176 MHz, D2O, predicted)
13C NMR Spectrum (1D, 201 MHz, D2O, predicted)
13C NMR Spectrum (1D, 226 MHz, D2O, predicted)
4-Chlorobenzoic acid
  • Not Available
ThumbC7H5ClO2

156.5660 Da
155.99781 Da
1H NMR Spectrum (1D, 500 MHz, D2O, experimental)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
D-Glucosaminic acid
  • Medicago sativa
  • Triticum aestivum
ThumbC6H13NO6

195.1705 Da
195.07429 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
4-Hydroxyphenylacetonitrile
  • Angelica furcijuga KITAGAWA
  • Brassica alba
  • Brassica hirta
  • Chlamydomonas reinhardtii
  • Drypetes gossweileri
  • Moringa oleifera
  • Sinapis alba
  • Sorghum bicolor
  • (show allshow less)
ThumbC8H7NO

133.1473 Da
133.05276 Da
1H NMR Spectrum (1D, 500 MHz, D2O, experimental)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
D-Panthenol
  • Not Available
ThumbC9H19NO4

205.2515 Da
205.13141 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
D-Methionine
  • Allium cepa
  • Allium sativum
  • Artemia salina
  • Astragalus hamosus
  • Brassica napus
  • Calendula officinalis
  • Cannabis sativa
  • Cucumaria frondosa
  • Daphnia pulex
  • Flammulina velutipes
  • Glycine max
  • Gossypium hirsutum
  • Indigofera schimperi
  • Jatropha gossypifolia
  • Juncus roemerianus
  • Morchella angusticeps
  • Nicotiana tabacum
  • Opuntia ficus-indica
  • Panax ginseng
  • Pentaclethra macrophylla
  • Phyllostachys nigra
  • Pinus contorta
  • Pinus densiflora
  • Pinus ponderosa
  • Pisum sativum
  • Prunus domestica
  • Psophocarpus tetragonolobus
  • Ripariosida hermaphrodita
  • Senna obtusifolia
  • Spermacoce pusilla
  • Suaeda aegyptiaca
  • Tacca cristata
  • (show allshow less)
ThumbC5H11NO2S

149.2110 Da
149.05105 Da
13C NMR Spectrum (1D, 25 MHz, D2O, predicted)
13C NMR Spectrum (1D, 252 MHz, D2O, predicted)
13C NMR Spectrum (1D, 50 MHz, D2O, predicted)
13C NMR Spectrum (1D, 75 MHz, D2O, predicted)
13C NMR Spectrum (1D, 101 MHz, D2O, predicted)
13C NMR Spectrum (1D, 126 MHz, D2O, predicted)
13C NMR Spectrum (1D, 151 MHz, D2O, predicted)
13C NMR Spectrum (1D, 176 MHz, D2O, predicted)
13C NMR Spectrum (1D, 201 MHz, D2O, predicted)
13C NMR Spectrum (1D, 226 MHz, D2O, predicted)
Cyclohexylamine
  • Mus musculus
  • Toddalia asiatica
ThumbC6H13N

99.1741 Da
99.10480 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
Displaying natural products 1326 - 1350 of 290034 in total