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Displaying natural products 26 - 50 of 40908 in total
NP-MRD ID
CAS Number
Compound Name Species of OriginChemical StructureChemical Formula
Average Mass
Monoisotopic Mass
NMR Spectra
Vaccenic acid
  • Mangifera indica
ThumbC18H34O2

282.4680 Da
282.25588 Da
1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
Tetracosanoic acid
  • Adenanthera pavonina
  • Alpinia oxyphylla
  • Angelica sinensis
  • Anisomeles indica
  • Arabidopsis thaliana
  • Bupleurum chinense
  • Calophyllum calaba
  • Calophyllum inophyllum
  • Clitoria ternata
  • Mangifera indica
  • Notopterygium incisum
  • Peucedanum govanianum var.bicolo
  • Pinus koraiensis
  • Pinus sibirica
  • Saposhnikovia divaricata
  • Strychnos nitida
  • Trichosanthes kirilowii
  • Triticum aestivum
  • (show allshow less)
ThumbC24H48O2

368.6367 Da
368.36543 Da
1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
13C NMR Spectrum (1D, 50 MHz, CDCl3, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
FAPy-adenine
  • Animalia
ThumbC5H7N5O

153.1420 Da
153.06506 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Fumaric acid
  • Arabidopsis thaliana
  • Astragalus alopecurus
  • Capsella bursa-pastoris
  • Carica papaya
  • Cicer arietinum
  • Cirsium wallichii
  • Corydalis yanhusuo
  • Curcuma domestica
  • Daphniphyllum calycinum
  • Euphorbia antiquorum
  • Ficus carica
  • Fumaria officinalis
  • Glaucium flavum
  • Helianthus annuus
  • Lithospermum arvense
  • Malus domestica
  • Pisum sativum
  • Plantago major
  • Punica granatum
  • Pyrrosia shearei
  • Rhodiola crenulata
  • Rhodiola rosea
  • Saccharum sinensis
  • Sarcandra glabra
  • Sebertia acuminata
  • Senecio nemorensis
  • Sophora alopecuroides
  • Torreya yunnanensis
  • Urtica dioica
  • Vicia faba
  • (show allshow less)
ThumbC4H4O4

116.0722 Da
116.01096 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)
13C NMR Spectrum (1D, D2O, experimental)
[1H, 1H] 2D NMR Spectrum (experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Alpha-D-Glucose 1,6-bisphosphate
  • Animalia
  • Fungi
ThumbC6H14O12P2

340.1157 Da
339.99605 Da
1H NMR Spectrum (1D, D2O, experimental)
13C NMR Spectrum (1D, D2O, experimental)
Paraxanthine
  • Camellia assamica
  • Camellia kissi
  • Camellia sinensis
  • Camellia taliensis
  • Camellia toliensis
  • Citrus limon
  • Citrus maxima
  • Citrus paradisi
  • Coffea arabica
  • Coffea canephora
  • Coffea dewevrei
  • Coffea eugeniodes
  • Coffea kianjavatensis
  • Coffea liberica
  • Coffea racemosa
  • Coffea salvatrix
  • Cola sp.
  • Ilex paraguariensis
  • Paullinia cupana
  • Paullinia trifoliata
  • Theobroma cacao
  • Theobroma grandiflorum
  • (show allshow less)
ThumbC7H8N4O2

180.1640 Da
180.06473 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Tetradecanedioic acid
  • Annona squamosa
  • Triticum aestivum
ThumbC14H26O4

258.3538 Da
258.18311 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
1H-Indole-3-acetamide
  • Citrus unshiu
  • Euphorbia escula
  • Phaseolus mungo
  • Pisum sativum
Data?1628564076C10H10N2O

174.1992 Da
174.07931 Da
1H NMR Spectrum (1D, 400 MHz, DMSO-d6, experimental)
13C NMR Spectrum (1D, 100 MHz, DMSO-d6, 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)
2-Hydroxybutyric acid
  • Animalia
ThumbC4H8O3

104.1045 Da
104.04734 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
13C NMR Spectrum (1D, 15 MHz, CDCl3, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Sumiki's acid
  • Animalia
  • Eubacteria
  • Fungi
ThumbC6H6O4

142.1094 Da
142.02661 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
5-Aminolevulinic acid
  • Animalia
  • Eubacteria
  • Fungi
ThumbC5H9NO3

131.1299 Da
131.05824 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
L-Acetylcarnitine
  • Animalia
ThumbC9H17NO4

203.2380 Da
203.11576 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
1H NMR Spectrum (1D, D2O, experimental)
13C NMR Spectrum (1D, D2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Tryptamine
  • Acacia baileyana
  • Acacia rigidula
  • Ailanthus altissima
  • Aloe vela
  • Andrographis paniculatus
  • Angelica sinensis
  • Arabidopsis thaliana
  • Arnebia euchroma
  • Beta vulgaris
  • Carica papaya
  • Catharanthus roseus
  • Chenopodium rubrum
  • Cistanche deserticola
  • Citrus reticulata
  • Coptis chinensis
  • Cucumis sativus
  • Curcuma aeruginosa
  • Dendranthema morifolium
  • Desmodium elegans
  • Desmodium styracifolium
  • Dicorynia guianensis
  • Epimedium brevicornum
  • Eucommia ulmoides
  • Forsythia suspensa
  • Gentiana macrophylla
  • Gentiana scabra
  • Glycyrrhiza uralensis
  • Hordeum vulgare
  • Hypericum perforatum
  • Isatis indigotica
  • Lens culinaris
  • Lens esculenta
  • Leonurus japonicus
  • Lobelia chinensis
  • Lonicera japonica
  • Lupinus albus
  • Lycium barbarum
  • Mahonia bealei
  • Mimosa scabrella
  • Mimosa somnians
  • Morus alba
  • Mucuna pruriens
  • Musa spp.
  • Nicotiana tabacum
  • Nicotiana tobacum
  • Ophiopogon japonicus
  • Ophiorrhiza pumila
  • Panax notoginsneg
  • Patrinia scabiosifolia
  • Pentaceras australis
  • Petalostylis labicheoides
  • Pharbitis nil
  • Phellodendron amurense
  • Piptadenia peregrina
  • Polygala tenuifolia
  • Polygonatum sibiricum
  • Polygonum multiflorum
  • Prosopis alba
  • Prosopis nigra
  • Prunella vulgaris
  • Prunus cerasus
  • Pueraria lobata
  • Punica granatum
  • Raphanus sativus
  • Rehmannia glutinosa
  • Rheum palmatum
  • Rubus chingii
  • Salvia miltiorrhiza
  • Scrophularia ningpoensis
  • Scutellaria amoena
  • Scutellaria baicalensis
  • Solanum lycopersicum
  • Solanum tuberosum
  • Sophora flavescens
  • Syzygium aromaticum
  • Tachigali paniculata
  • Tanacetum parthenium
  • Taxillus chinensis
  • Uncaria rhynchophylla
  • Viola philipica
  • Zea mays
  • Ziziphus jujuba
  • (show allshow less)
ThumbC10H12N2

160.2157 Da
160.10005 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
1H NMR Spectrum (1D, 400 MHz, DMSO-d6, experimental)
13C NMR Spectrum (1D, 15 MHz, DMSO-d6, experimental)
[1H, 1H] 2D NMR Spectrum (experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
N-Acetylglutamine
  • Animalia
ThumbC7H12N2O4

188.1812 Da
188.07971 Da
1H NMR Spectrum (1D, 400 MHz, DMSO-d6, experimental)
13C NMR Spectrum (1D, 23 MHz, DMSO-d6, experimental)
1H NMR Spectrum (1D, 500 MHz, D2O, experimental)
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)
3-Pyridylacetic acid
  • Animalia
ThumbC7H7NO2

137.1360 Da
137.04768 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Suberylglycine
  • Animalia
ThumbC10H17NO5

231.2457 Da
231.11067 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Indole-3-carbinol
  • Brassica sp.
  • Raphanus sativus
ThumbC9H9NO

147.1739 Da
147.06841 Da
1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
5-Methoxysalicylic acid
  • Primula veris
ThumbC8H8O4

168.1467 Da
168.04226 Da
1H NMR Spectrum (1D, 500 MHz, 5%_DMSO, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Adenosine diphosphate
  • All
ThumbC10H15N5O10P2

427.2011 Da
427.02941 Da
1H NMR Spectrum (1D, 600 MHz, 100%_DMSO, experimental)
[1H, 1H] 2D NMR Spectrum (experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)
Methylsuccinic acid
  • Animalia
ThumbC5H8O4

132.1146 Da
132.04226 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
1H NMR Spectrum (1D, 400 MHz, DMSO-d6, experimental)
13C NMR Spectrum (1D, 23 MHz, DMSO-d6, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Senecioic acid
  • Peucedanum japonicum
ThumbC5H8O2

100.1158 Da
100.05243 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
D-Glucose
  • All
ThumbC6H12O6

180.1559 Da
180.06339 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
13C NMR Spectrum (1D, 400 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Isovaleric acid
  • Achillea millefolium
  • Arctium lappa
  • Carthamus tinctorius
  • Centaurea orientalis
  • Coffea arabica
  • Elsholtzia ciliata
  • Euonymus japonicus
  • Humulus lupulus
  • Lithospermum erythrorhizon
  • Litsea cubeba
  • Morus alba
  • Nardostachys chinensis
  • Nicotiana tabacum
  • Saxifraga stolonifera Meerb.
  • Solanum lycopersicum
  • Valeriana officinalis
  • Valeriana spp.
  • (show allshow less)
ThumbC5H10O2

102.1317 Da
102.06808 Da
13C NMR Spectrum (1D, 400 MHz, H2O, experimental)
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)
3-Methyladipic acid
  • Animalia
ThumbC7H12O4

160.1678 Da
160.07356 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Ribitol
  • Adonis vernalis
  • Anthriscus sylvestris
  • Brassica oleracea L. ssp. Botrytis
  • Bupleurum falcatum
  • Curcuma domestica
  • Eugenia lehmannii
  • Solanum tuberosum
  • (show allshow less)
ThumbC5H12O5

152.1458 Da
152.06847 Da
1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental)
Displaying natural products 26 - 50 of 40908 in total