NP-MRD: Browsing natural products

NP-MRD ID
CAS Number Compound Name Species of Origin Chemical Structure Chemical Formula
Average Mass
Monoisotopic Mass NMR Spectra

NP0002882

Apocholic acid

Not Available

C₂₄H₃₈O₄

390.5640 Da
390.27701 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)

NP0002881

6-Ethylmercaptopurine

Not Available

C₇H₈N₄S

180.2300 Da
180.04697 Da

¹H NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Methanol, experimental)

NP0002880

3-Deazauridine

Not Available

C₁₀H₁₃NO₆

243.2133 Da
243.07429 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)

NP0002879

2,3-Difluorobenzyl alcohol

Not Available

C₇H₆F₂O

144.1187 Da
144.03867 Da

¹H NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Methanol, experimental)

NP0002878

1-Amino-1-cyclohexanecarboxylic acid

Not Available

C₇H₁₃NO₂

143.1836 Da
143.09463 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)

NP0002877

Sulfanilic acid

Apis cerana

C₆H₇NO₃S

173.1900 Da
173.01466 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)

NP0002876

sec-Butylbenzene

Not Available

C₁₀H₁₄

134.2220 Da
134.10955 Da

¹H NMR Spectrum (1D, 500 MHz, Acetone, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Acetone, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Acetone, experimental)

NP0002875

o-Fluoroaniline

Not Available

C₆H₆FN

111.1169 Da
111.04843 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)

NP0002874

N-(2-Furoyl)glycine methyl ester

Not Available

C₈H₉NO₄

183.1630 Da
183.05316 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)

NP0002873

Epichlorohydrin

Not Available

C₃H₅ClO

92.5200 Da
92.00289 Da

¹H NMR Spectrum (1D, 500 MHz, Benzene, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Benzene, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Benzene, experimental)

NP0002872

Diphenylacetic acid

Not Available

C₁₄H₁₂O₂

212.2439 Da
212.08373 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)

NP0002871

Dioctyl sulfosuccinate

Not Available

C₂₀H₃₈O₇S

422.5770 Da
422.23382 Da

¹H NMR Spectrum (1D, 500 MHz, Acetone, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Acetone, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Acetone, experimental)

NP0002870

Decamethonium

Not Available

C₁₆H₃₈N₂

258.4863 Da
258.30350 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)

NP0002869

cis-1,3-dichloropropene

Not Available

C₃H₄Cl₂

110.9700 Da
109.96901 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)

NP0002868

Cetyl-trimethyl-ammonium

Not Available

C₁₉H₄₂N

284.5435 Da
284.33173 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)

NP0002867

8-Anilino-1-naphthalenesulfonic acid

Homo sapiens

C₁₆H₁₃NO₃S

299.3440 Da
299.06161 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)

NP0002866

2-Ethylpiperidine

Not Available

C₇H₁₅N

113.2040 Da
113.12045 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)

NP0002865

2,3-Dideoxycytidine

Not Available

C₉H₁₃N₃O₃

211.2178 Da
211.09569 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)

NP0002863

N-Acetyl-histidine

Apis cerana
Trypanosoma brucei

C₈H₁₁N₃O₃

197.1940 Da
197.08004 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)

NP0002862

L-Cysteinesulfinic acid

Mus musculus
Trypanosoma brucei

C₃H₇NO₄S

153.1570 Da
153.00958 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)

NP0002861

4-Hydroxy-3-methoxymandelic acid

Not Available

C₉H₁₀O₅

198.1740 Da
198.05282 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)

NP0002860

16-Hydroxyhexadecanoic acid

Anas platyrhynchos
Anatidae
Anser anser
Apis cerana
Arabidopsis thaliana
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
Melanitta fusca
Meleagris gallopavo
Numida meleagris
Odocoileus
Oryctolagus
Ovis aries
Phasianidae
Phasianus colchicus
Pinus radiata
Prunus avium
Solanum lycopersicum var. lycopersicum
Solanum tuberosum
Struthio camelus
Sus scrofa
Sus scrofa domestica
Trypanosoma brucei
(show all show less)

C₁₆H₃₂O₃

272.4235 Da
272.23514 Da

¹H NMR Spectrum (1D, 500 MHz, Ethanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Ethanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Ethanol, experimental)

NP0002859

Thiamine monophosphate

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
Melanitta fusca
Meleagris gallopavo
Mus musculus
Numida meleagris
Odocoileus
Oryctolagus
Ovis aries
Phasianidae
Phasianus colchicus
Struthio camelus
Sus scrofa
Sus scrofa domestica
Synechococcus elongatus
(show all show less)

C₁₂H₁₈N₄O₄PS

345.3340 Da
345.07864 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)

NP0002858

(S)-(-)-Perillic acid

Perilla frutescens
Spodoptera litura

C₁₀H₁₄O₂

166.2200 Da
166.09938 Da

¹H NMR Spectrum (1D, 500 MHz, Ethanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Ethanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Ethanol, experimental)

NP0002857

Pentachlorophenol

Not Available

C₆HCl₅O

266.3370 Da
263.84700 Da

¹³C NMR Spectrum (1D, 500 MHz, Ethanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Ethanol, experimental)

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