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Displaying natural products 1301 - 1325 of 290034 in total
NP-MRD ID
CAS Number		Compound Name Species of OriginChemical StructureChemical Formula
Average Mass
Monoisotopic Mass 		NMR Spectra
NP0002689
1,3-Propanediol
  • Perityle emoryi
ThumbC3H8O2

76.0944 Da
76.05243 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)
NP0002690
1-Amino-2-propanol
  • 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
  • Numida meleagris
  • Odocoileus
  • Oryctolagus
  • Ovis aries
  • Phasianidae
  • Phasianus colchicus
  • Struthio camelus
  • Sus scrofa
  • Sus scrofa domestica
  • (show allshow less)
ThumbC3H9NO

75.1110 Da
75.06841 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)
NP0002692
2-Amino-1-phenylethanol
  • Not Available
ThumbC8H11NO

137.1820 Da
137.08406 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)
NP0002693
2-Aminoethylphosphonic acid
  • 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
  • Euphausia superba
  • Gallus gallus
  • Homo sapiens
  • Lagopus muta
  • Leporidae
  • Lepus timidus
  • Melanitta fusca
  • Meleagris gallopavo
  • Mitragyna speciosa Korth.
  • Mus musculus
  • Numida meleagris
  • Odocoileus
  • Oryctolagus
  • Ovis aries
  • Phasianidae
  • Phasianus colchicus
  • Streptomyces regensis
  • Struthio camelus
  • Sus scrofa
  • Sus scrofa domestica
  • Tetrahymena pyriformis
  • (show allshow less)
ThumbC2H8NO3P

125.0636 Da
125.02418 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)
NP0002694
2-Aminophenol
  • Not Available
ThumbC6H7NO

109.1259 Da
109.05276 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)
NP0002695
6-Aminopenicillanic acid
  • Penicillium chrysogenum
Data?1624573713C8H12N2O3S

216.2570 Da
216.05686 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, 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)
13C NMR Spectrum (1D, 500 MHz, D2O, experimental)
NP0002696
beta-gentiobiose
  • Averrhoa carambola
  • Gentiana andrewsii
  • Gentiana macrophylla
  • Gentiana straminea
  • Gentianopsis grandis
  • Triticum aestivum
  • (show allshow less)
ThumbC12H22O11

342.2970 Da
342.11621 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)
NP0002697
Gibberellic acid
  • Abelmoschus esculentus
  • Alcea rosea
  • Althaea rosea
  • Anas platyrhynchos
  • Anatidae
  • Anser anser
  • Arabidopsis thaliana
  • Avena sativa
  • Avena sativa L.
  • Azospirillum brasilense
  • Azospirillum lipoferum
  • Bison bison
  • Bos taurus X Bison bison
  • Bos taurus
  • Brassica campestris
  • Brassica napus
  • Brassica rapa
  • Brassica rapa subsp. oleifera
  • Bruguiera gymnorhiza
  • Bruguiera gymnorrhiza
  • Bubalus bubalis
  • Calystegia soldanella
  • Camellia sinensis
  • Capra aegagrus hircus
  • Carica papaya
  • Carica papaya L.
  • Carthamus tinctorius
  • Cassia fistula
  • Cervidae
  • Cervus canadensis
  • Citrus X sinensis (L.) Osbeck (pro. sp.)
  • Citrus sinensis
  • Columba
  • Columbidae
  • Cucumis melo
  • Cucumis sativus
  • Cucumis sativus L.
  • Dalbergia dolichopetala
  • Dromaius novaehollandiae
  • Equus caballus
  • Fragaria spp.
  • Fragaria x ananassa
  • Gallus gallus
  • Gossypium hirsutum
  • Helianthus annuus L.
  • Hordeum vulgare
  • Ipomoea aquatica
  • Ipomoea batatas
  • Ipomoea purpurea
  • Ipomoea reptans
  • Ipomoea tricolor
  • Lactuca sativa
  • Lagopus muta
  • Leporidae
  • Lepus timidus
  • Lolium temulentum
  • Lupinus albus
  • Malus domestica
  • Mangifera indica
  • Marah macrocarpa
  • Marah macrocarpus
  • Melanitta fusca
  • Meleagris gallopavo
  • Mus musculus
  • Numida meleagris
  • Odocoileus
  • Oryctolagus
  • Ovis aries
  • Pennisetum americanum
  • Pennisetum glaucum
  • Pharbitis purpurea
  • Phaseolus coccineus
  • Phaseolus lunatus
  • Phaseolus multiflorus
  • Phasianidae
  • Phasianus colchicus
  • Picea abies
  • Pinus attenuata
  • Pinus sylvestris
  • Pisum sativum
  • Prunus avium
  • Prunus cerasus
  • Prunus persica
  • Pseudotsuga menziesii
  • Pyrus communis
  • Quamoclit pennata
  • Rhizophora mucronata
  • Saccharum spp.
  • Secale cereale
  • Sechium edule
  • Senna tora
  • Solanum lycopersicum var. lycopersicum
  • Solanum tuberosum
  • Sonneratia apetala
  • Struthio camelus
  • Sus scrofa
  • Sus scrofa domestica
  • Triticum aestivum
  • Vigna unguiculata
  • Vitis vinifera
  • Vitis vinifera L.
  • Zea mays
  • Zea mays L.
  • (show allshow less)
ThumbC19H22O6

346.3744 Da
346.14164 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)
NP0002698
3-Methyl-2-oxopentanoic acid
  • Not Available
ThumbC6H10O3

130.1430 Da
130.06299 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)
NP0002699
2'-Deoxycytidine
  • Not Available
ThumbC9H13N3O4

227.2172 Da
227.09061 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)
NP0002700
3-(2-Hydroxyphenyl)propionic acid
  • Cinnamomum aromaticum
  • Cinnamomum cassia
  • Dipteryx odorata
  • Justicia pectoralis
  • Melilotus alba
  • Melilotus albus
  • Melilotus caspius
  • Melilotus officinalis
  • Melilotus suaveolens
  • Pterocarpus santalinus
  • (show allshow less)
ThumbC9H10O3

166.1739 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)
NP0002701
2-Chlorobenzoic acid
  • Not Available
ThumbC7H5ClO2

156.5700 Da
155.99781 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)
NP0002702
3-Methylcatechol
  • Apis cerana
  • Coffea arabica L.
  • Coffea canephora
  • Verbascum lychnitis
ThumbC7H8O2

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)
NP0002703
3,5-Dichlorocatechol
  • Not Available
ThumbC6H4Cl2O2

179.0010 Da
177.95883 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)
NP0002704
2-Hydroxyisocaproic acid
  • 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
  • Numida meleagris
  • Odocoileus
  • Oryctolagus
  • Ovis aries
  • Phasianidae
  • Phasianus colchicus
  • Struthio camelus
  • Sus scrofa
  • Sus scrofa domestica
  • (show allshow less)
ThumbC6H12O3

132.1577 Da
132.07864 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, 600.133705802, CD3OD, simulated)
1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
13C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
NP0002705
Barbituric acid
  • Not Available
ThumbC4H4N2O3

128.0862 Da
128.02219 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)
NP0002706
Adenosine-3'-monophosphate
  • Anas platyrhynchos
  • Anatidae
  • Anser anser
  • Apis cerana
  • 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
  • Helianthus tuberosus
  • Homo sapiens
  • Lagopus muta
  • Leporidae
  • Lepus timidus
  • Melanitta fusca
  • Meleagris gallopavo
  • Notechis scutatus
  • Numida meleagris
  • Odocoileus
  • Oryctolagus
  • Ovis aries
  • Phasianidae
  • Phasianus colchicus
  • Struthio camelus
  • Sus scrofa
  • Sus scrofa domestica
  • (show allshow less)
ThumbC10H14N5O7P

347.2212 Da
347.06308 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)
NP0002707
DL-threo-beta-Methylaspartate
  • Not Available
ThumbC5H9NO4

147.1293 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)
NP0002708
Chlorohydroquinone
  • Streptomyces rochei
ThumbC6H5ClO2

144.5500 Da
143.99781 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)
NP0002709
2-Chloroethanol
  • Not Available
ThumbC2H5ClO

80.5100 Da
80.00289 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)
NP0002710
(R)-2-Hydroxybutyric acid
  • Not Available
ThumbC4H8O3

104.1050 Da
104.04734 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)
NP0002711
3-Butyn-1-Ol
  • Not Available
ThumbC4H6O

70.0910 Da
70.04186 Da
1H NMR Spectrum (1D, 500 MHz, D2O, experimental)
NP0002712
Propargyl alcohol
  • Anethum foeniculum
  • Foeniculum vulgare
ThumbC3H4O

56.0633 Da
56.02621 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)
NP0002713
Arbutin
  • Adenosma caeruleum
  • Aesculus californica
  • Angelica furcijuga KITAGAWA
  • Antennaria microphylla
  • Arbutus andrachne L.
  • Arbutus unedo
  • Arctostaphylos canescens
  • Arctostaphylos patula
  • Arctostaphylos uva-ursi
  • Bergenia crassifolia
  • Betula pendula
  • Betula platyphylla
  • Breynia fruticosa
  • Breynia officinalis
  • Breynia vitis-idaea
  • Broussonetia papyrifera
  • Calluna vulgaris
  • Camellia sinensis
  • Cephalanthus occidentalis
  • Cotoneaster simonsii
  • Cotoneaster symondsii
  • Cuscuta chinensis
  • Cydonia oblonga
  • Galium mollugo
  • Gerbera piloselloides
  • Grevillea robusta
  • Halocarpus biformis
  • Huperzia serrata
  • Hylotelephium ewersii
  • Juniperus communis
  • Klasea radiata
  • Malus pumila
  • Mutisia acerosa
  • Mutisia acuminata
  • Mutisia oligodon
  • Mutisia orbignyana
  • Myrothamnus flabellifolia
  • Myrsine seguinii
  • Nelumbo nucifera
  • Onobrychis arenaria
  • Onobrychis bobrovi
  • Onobrychis bobrovii
  • Onobrychis meschetica
  • Onobrychis radiata
  • Onobrychis viciifolia
  • Origanum majorana
  • Paederia foetida
  • Phedimus kamtschaticus
  • Picrasma quassioides
  • Pyrus bourgaeana
  • Pyrus communis
  • Pyrus kawakamii
  • Pyrus pyrifolia
  • Rauvolfia serpentina
  • Rhodiola coccinea
  • Rhodiola kirilowii
  • Rhodiola sacra
  • Rhododendron ferrugineum
  • Rhododendron luteum
  • Rhododendron ponticum
  • Salix acmophylla
  • Salvia rhyacophila
  • Sedum takesimense Nakai
  • Sedum telephium
  • Semiarundinaria fastuosa
  • Senecio mairetianus
  • Solanum tuberosum
  • Sorbaria sorbifolia
  • Stratiotes aloides
  • Thymus vulgaris
  • Triticum
  • Turnera diffusa
  • Turnera subulata
  • Vaccinium arctostaphylos
  • Vaccinium dunalianum
  • Vaccinium erythrocarpum
  • Vaccinium myrtillus
  • Vaccinium pallidum
  • Vaccinium vitis-idaea
  • Veronica turrilliana
  • Viburnum dilatatum
  • Viburnum phlebotrichum
  • Viburnum rhytidophyllum
  • Viburnum wrightii
  • Viola arvensis
  • Zanthoxylum bungeanum
  • Zanthoxylum piperitum
  • (show allshow less)
ThumbC12H16O7

272.2512 Da
272.08960 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, 600.133705802, CD3OD, simulated)
1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
13C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
NP0002714
Chloroacetic Acid
  • Not Available
ThumbC2H3ClO2

94.4970 Da
93.98216 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 1301 - 1325 of 290034 in total