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)

NP0002883

bis(2-butoxyethyl)phthalate

Not Available

C₂₀H₃₀O₆

366.4540 Da
366.20424 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)

NP0002884

Digoxigenin

Asclepias syriaca
Digitalis purpurea

C₂₃H₃₄O₅

390.5131 Da
390.24062 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)

NP0002886

N-Methylurea

Not Available

C₂H₆N₂O

74.0818 Da
74.04801 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)

NP0002887

p-Fluorobenzoic acid

Not Available

C₇H₅FO₂

140.1130 Da
140.02736 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)

NP0002889

N-Methyl-L-aspartic acid

Not Available

C₅H₉NO₄

147.1300 Da
147.05316 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)

NP0002890

Phenoxyacetic acid

Theobroma cacao

C₈H₈O₃

152.1473 Da
152.04734 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)

NP0002892

Parabanic acid

Not Available

C₃H₂N₂O₃

114.0600 Da
114.00654 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)

NP0002893

21-Hydroxypregnenolone

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
(show all show less)

C₂₁H₃₂O₃

332.4840 Da
332.23514 Da

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

NP0002894

2-Hydroxyethyl salicylate

Not Available

C₉H₁₀O₄

182.1750 Da
182.05791 Da

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

NP0002895

Khellin

Allium nutans
Ammi visnaga
Annona muricata
Dioscorea deltoidea
Dioscorea parviflora

C₁₄H₁₂O₅

260.2450 Da
260.06847 Da

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

NP0002896

Phenylmethanesulfonyl fluoride

Baptisia arachnifera
Baptisia bracteata
Baptisia calycosa
Baptisia cinerea
Baptisia lanceolata
Baptisia lecontei
Baptisia megacarpa
Baptisia nuttalliana
Baptisia perfoliata
Baptisia simplicifolia
Begonia nantoensis
Bituminaria acaulis
Froelichia floridana
Genista lydia
Glycine max
Ixora coccinea
Medicago sativa
Medicago truncatula
Pueraria candollei var. mirifica
Pueraria lobata
Pueraria mirifica
Pueraria spp.
Pueraria tuberosa
Retama sphaerocarpa
Thermopsis macrophylla
Thermopsis mollis
Thermopsis rhombifolia
Thermopsis villosa
Trifolium pratense
Vigna radiata
(show all show less)

C₇H₇FO₂S

174.1900 Da
174.01508 Da

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

NP0002897

Polyoxyethylene 23 lauryl ether

Not Available

C₁₄H₃₀O₂

230.3868 Da
230.22458 Da

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

NP0002898

Precocene 1

Ageratina aromatica
Ageratum conyzoides
Ageratum houstonianum
Artemisia capillaris
Bidens pilosa

C₁₂H₁₄O₂

190.2420 Da
190.09938 Da

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

NP0002899

Procyclidine

Not Available

C₁₉H₂₉NO

287.4470 Da
287.22491 Da

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

NP0002900

3-Nitrofluoranthene

Not Available

C₁₆H₉NO₂

247.2530 Da
247.06333 Da

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

NP0002901

Neostigmine

Not Available

C₁₂H₁₉N₂O₂

223.2915 Da
223.14465 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)

NP0002902

Nonactin

Streptomyces griseus
Streptomyces werraensis

C₄₀H₆₄O₁₂

736.9400 Da
736.43978 Da

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

NP0002903

Octamethylcyclotetrasiloxane

Not Available

C₈H₂₄O₄Si₄

296.6160 Da
296.07517 Da

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

NP0002904

Orthanilic acid

Not Available

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)

NP0002906

Saligenin

Anthriscus sylvestris
Festuca rubra
Gardenia jasminoides
Populus laurifolia
Populus tremula
Salix alba
Salix caprea
Salix myrsinifolia
(show all show less)

C₇H₈O₂

124.1372 Da
124.05243 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)

NP0002907

alpha-Lipoamide

Not Available

C₈H₁₅NOS₂

205.3300 Da
205.05951 Da

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

NP0002908

Phenyl beta-D-glucoside

Gymnadenia conopsea
Gymnadenia conopsea R.BR.
Triticum aestivum

C₁₂H₁₆O₆

256.2540 Da
256.09469 Da

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

NP0002909

Pyromellitic acid

Not Available

C₁₀H₆O₈

254.1498 Da
254.00627 Da

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

NP0002910

Salicylhydroxamic Acid

Not Available

C₇H₇NO₃

153.1354 Da
153.04259 Da

¹³C NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹H NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

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