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Displaying natural products 1251 - 1275 of 281838 in total
NP-MRD ID
CAS Number
Compound Name Species of OriginChemical StructureChemical Formula
Average Mass
Monoisotopic Mass
NMR Spectra
3,4-Dehydro-d/L-proline
  • Santalum album
ThumbC5H7NO2

113.1160 Da
113.04768 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)
alpha-D-Glucose-1-phosphate
  • Arabidopsis thaliana
ThumbC6H13O9P

260.1358 Da
260.02972 Da
1H NMR Spectrum (1D, D2O, experimental)
13C NMR Spectrum (1D, D2O, experimental)
13C NMR Spectrum (1D, 25 MHz, D2O, predicted)
1H NMR Spectrum (1D, 100 MHz, D2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)
13C NMR Spectrum (1D, 252 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)
1H NMR Spectrum (1D, 400 MHz, D2O, predicted)
13C NMR Spectrum (1D, 101 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)
1H NMR Spectrum (1D, 700 MHz, D2O, predicted)
13C NMR Spectrum (1D, 176 MHz, D2O, predicted)
1H NMR Spectrum (1D, 800 MHz, D2O, predicted)
13C NMR Spectrum (1D, 201 MHz, D2O, predicted)
1H NMR Spectrum (1D, 900 MHz, D2O, predicted)
13C NMR Spectrum (1D, 226 MHz, D2O, predicted)
1H NMR Spectrum (1D, 100 MHz, D2O, predicted)
13C NMR Spectrum (1D, 25 MHz, D2O, predicted)
13C NMR Spectrum (1D, 252 MHz, D2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)
1H NMR Spectrum (1D, 200 MHz, D2O, predicted)
13C NMR Spectrum (1D, 50 MHz, D2O, predicted)
13C NMR Spectrum (1D, 75 MHz, D2O, predicted)
1H NMR Spectrum (1D, 300 MHz, D2O, predicted)
1H NMR Spectrum (1D, 400 MHz, D2O, predicted)
13C NMR Spectrum (1D, 101 MHz, D2O, predicted)
13C NMR Spectrum (1D, 126 MHz, D2O, predicted)
1H NMR Spectrum (1D, 500 MHz, D2O, predicted)
1H NMR Spectrum (1D, 600 MHz, D2O, predicted)
13C NMR Spectrum (1D, 151 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 NMR Spectrum (1D, 600.133705802 MHz, D2O, simulated)
13C NMR Spectrum (1D, 201.216488466 MHz, D2O, simulated)
[1H, 1H] 2D NMR Spectrum (experimental)
[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)
muco-Inositol
  • Arabidopsis thaliana
  • Cephalotaxus fortunei
  • Taxus baccata
ThumbC6H12O6

180.1560 Da
180.06339 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)
Oxalate
  • Acacia concinna
  • Actinidia arguta
  • Albizia julibrissin
  • Alocasia odora
  • Aloe vera
  • Amaranthus tricolor
  • Ammodendron bifolium
  • Arabidopsis thaliana
  • Artemisia scoparia
  • Beta vulgaris
  • Bulgaria inquinans
  • Cacalia hastata
  • Cannabis sativa
  • Capparis aegyptia
  • Capparis deserti
  • Capparis leucophylla
  • Capsicum annuum
  • Chlamydomonas reinhardtii
  • Cicer arietinum
  • Colocasia esculenta
  • Colocasia escultenta
  • Crataegus pinnatifida
  • Curcuma domestica
  • Curcuma longa
  • Echinopsis chamaecereus
  • Ephedra equisetina
  • Glehnia littoralis
  • Herniaria hirsuta
  • Hippophae rhamnoides
  • Imperata cylindrica
  • Lotus corniculatus
  • Lupinus albus
  • Lupinus luteus
  • Mangifera indica
  • Morus nigra
  • Opuntia microdasys
  • Oxalis spp.
  • Oxalis tuberosa Molina
  • Paraburkholderia phymatum
  • Paris fargesii
  • Parthenium hysterophorus
  • Penicillium oxalicum
  • Phaseolus vulgaris
  • Phoenix dactylifera
  • Phyllostachys edulis
  • Plinia cauliflora
  • Populus lasiocarpa
  • Populus tremula
  • Portulaca oleracea
  • Prunus salicina
  • Punica granatum
  • Rheum rhaponticum
  • Rhodiola rosea
  • Rosa spinosissima
  • Salmonella enterica
  • Sambucus nigra
  • Sclerotinia trifoliorum
  • Solanum tuberosum
  • Sophora alopecuroides
  • Spinacia oleracea
  • Stemona tuberosa
  • Stromatinia cepivora
  • Telekia speciosa
  • Terminalia chebula
  • Thymus transcaucasicus
  • Triticum aestivum
  • Ulmus campestris
  • Urtica dioica
  • Vaccinium macrocarpon
  • Viburnum opulus
  • Vicia faba
  • Xanthosoma sagittifolium
  • (show allshow less)
ThumbC2H2O4

90.0349 Da
89.99531 Da
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
Scyllo-Inositol
  • Arabidopsis thaliana
  • Citrus sinensis
  • Cornus florida
  • Daphnia pulex
  • Helinus integrifolius
  • Litoria verreauxii
  • Marsdenia tomentosa
  • Medicago sativa
  • Murraya paniculata
  • Pycnandra acuminata
  • Rhynchosia beddomei
  • (show allshow less)
ThumbC6H12O6

180.1559 Da
180.06339 Da
1H NMR Spectrum (1D, 400 MHz, D2O, experimental)
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
Isonicotinic acid
  • Aloe africana
  • Arabidopsis thaliana
  • Chlamydomonas reinhardtii
  • Kandelia candel
ThumbC6H5NO2

123.1094 Da
123.03203 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)
1H NMR Spectrum (1D, 600.133705802, CD3OD, simulated)
1H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
13C NMR Spectrum (1D, 202 MHz, CD3OD, experimental)
[1H , 13C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[1H , 1H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[1H , 13C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
Ethacrynic acid
  • Not Available
ThumbC13H12Cl2O4

303.1380 Da
302.01126 Da
1H NMR Spectrum (1D, 400 MHz, D2O, experimental)
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
Cyanuric acid
  • Acokanthera oblongifolia
ThumbC3H3N3O3

129.0742 Da
129.01744 Da
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
D-Glucuronate
  • Annona squamosa
  • Gaultheria miqueliana
ThumbC6H10O7

194.1394 Da
194.04265 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)
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)
D-Galactono-1,4-lactone
  • Talaromyces flavus
ThumbC6H10O6

178.1400 Da
178.04774 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)
(+-)-Acetylcarnitine
  • Not Available
ThumbC9H17NO4

203.2380 Da
203.11576 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)
5-Acetylamido-2-chloroaniline
  • Not Available
ThumbC8H9ClN2O

184.6200 Da
184.04034 Da
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-(2-Acetamido)iminodiacetic acid
  • Not Available
ThumbC6H10N2O5

190.1540 Da
190.05897 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)
4-Aminoantipyrine
  • Not Available
ThumbC11H13N3O

203.2450 Da
203.10586 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)
L-Methionine methylsulfonium iodide
  • Not Available
ThumbC6H14INO2S

291.1500 Da
290.97899 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)
4-(2-Aminoethyl)morpholine
  • Not Available
ThumbC6H14N2O

130.1882 Da
130.11061 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)
Trimethyl phosphonoacetate
  • Not Available
ThumbC5H11O5P

182.1120 Da
182.03441 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)
N-Acetyl-D-glucosamine 1-phosphate
  • Escherichia coli K1
Data?1606326904C8H16NO9P

301.1877 Da
301.05627 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)
D-Xylonate
  • Bergera koenegii
  • Carica papaya L.
  • Citrus X sinensis (L.) Osbeck (pro. sp.)
  • Murraya paniculata
ThumbC5H10O6

166.1293 Da
166.04774 Da
1H NMR Spectrum (1D, 400 MHz, D2O, experimental)
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
L-Tartaric acid
  • Cacalia hastata
  • Laetiporus sulphureus
  • Plantago major
  • Scutellaria baicalensis
ThumbC4H6O6

150.0868 Da
150.01644 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)
(1-Amino-1-phenylmethyl)phosphonic acid
  • Not Available
ThumbC7H10NO3P

187.1350 Da
187.03983 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)
5-(Acetylamino)-2-nitrobenzoic acid
  • Not Available
ThumbC9H8N2O5

224.1720 Da
224.04332 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)
2-Amino-5-ethyl-1,3,4-thiadiazole
  • Not Available
ThumbC4H7N3S

129.1800 Da
129.03607 Da
1H NMR Spectrum (1D, 400 MHz, D2O, experimental)
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
13C NMR Spectrum (1D, 400 MHz, D2O, experimental)
alpha-Naphthoic acid
  • Not Available
ThumbC11H8O2

172.1800 Da
172.05243 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)
L-Ascorbate
  • Arabidopsis thaliana
  • Carica papaya L.
  • Citrus spp.
  • Colocasia escultenta
  • Daucus carota
  • Glycine max
  • Hippophae rhamnoides
  • Mangifera indica
  • Medicago sativa
  • Peperomia sui
  • Rubus idaeus
  • Zingiber officinale
  • (show allshow less)
ThumbC6H8O6

176.1241 Da
176.03209 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)
Displaying natural products 1251 - 1275 of 281838 in total