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Displaying natural products 289601 - 289625 of 291370 in total
NP-MRD ID
CAS Number
Compound Name Species of OriginChemical StructureChemical Formula
Average Mass
Monoisotopic Mass
NMR Spectra
1,3,5-Trihydroxybenzene
  • Acacia arabica
  • Achillea millefolium
  • Allium cepa
  • Alliun cepa
  • Alpinia blepharocalyx
  • Alpinia roxburghii
  • Analipus japonicus
  • Artemisia dolosa
  • Cannabis sativa
  • Carpophyllum angustifolium
  • Cornus capitata
  • Cystophora congesta
  • Cystophora retroflexa
  • Cystophora torulosa
  • Cystoseira granulata
  • Cytospora ceratosperma
  • Ecklonia cava
  • Ecklonia maxima
  • Eisenia bicyclis
  • Haematoxylum brasiletto
  • Himanthalia elongata
  • Hypericum perforatum
  • Ishige okamurae
  • Koenigia coriaria
  • Lychnis dioica
  • Mallotus philippensis
  • Malus pumila
  • Pleurophycus gardneri
  • Pluchea lanceolata
  • Polygonum bistorta
  • Posidonia oceanica
  • Sargassum spinuligerum
  • Sekanama sanguinea
  • Sequoia gigantea
  • Sequoia sempervirens
  • Sergassum spinuligerum
  • Sorghum halepense
  • Streptomyces nigra
  • (show allshow less)
ThumbC6H6O3

126.1100 Da
126.03169 Da
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)
Isomaltol
  • Tamarindus indica
  • Toxicodendron vernicifluum
ThumbC6H6O3

126.1100 Da
126.03169 Da
Not Available
2-Hydroxyethylphosphonic acid
  • Streptomyces hygroscopicus
  • Streptomyces wedmorensis
ThumbC2H7O4P

126.0483 Da
126.00820 Da
Not Available
Ethylphosphate
  • Agave americana
  • 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)
ThumbC2H7O4P

126.0483 Da
126.00820 Da
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)
Sodium sulfite (Na2SO3)
  • Not Available
ThumbNa2O3S

126.0430 Da
125.93635 Da
Not Available
Phosphonoformic acid
  • Streptomyces hygroscopicus
ThumbCH3O5P

126.0053 Da
125.97181 Da
Not Available
Manganese(II) chloride (MnCl2)
  • Not Available
ThumbCl2Mn

125.8440 Da
124.87576 Da
Not Available
Zinc carbonate
  • Not Available
ThumbCO3Zn

125.4180 Da
123.91389 Da
Not Available
Bentonite
  • Apium graveolens
ThumbAlH7MgNaOSi

125.4160 Da
124.98297 Da
Not Available
Octahydroisoindole
  • Not Available
ThumbC8H15N

125.2150 Da
125.12045 Da
13C NMR Spectrum (1D, 25 MHz, H2O, predicted)
1H NMR Spectrum (1D, 100 MHz, H2O, predicted)
13C NMR Spectrum (1D, 252 MHz, H2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)
13C NMR Spectrum (1D, 50 MHz, H2O, predicted)
1H NMR Spectrum (1D, 200 MHz, H2O, predicted)
13C NMR Spectrum (1D, 75 MHz, H2O, predicted)
1H NMR Spectrum (1D, 300 MHz, H2O, predicted)
13C NMR Spectrum (1D, 101 MHz, H2O, predicted)
1H NMR Spectrum (1D, 400 MHz, H2O, predicted)
13C NMR Spectrum (1D, 126 MHz, H2O, predicted)
1H NMR Spectrum (1D, 500 MHz, H2O, predicted)
13C NMR Spectrum (1D, 151 MHz, H2O, predicted)
1H NMR Spectrum (1D, 600 MHz, H2O, predicted)
13C NMR Spectrum (1D, 176 MHz, H2O, predicted)
1H NMR Spectrum (1D, 700 MHz, H2O, predicted)
13C NMR Spectrum (1D, 201 MHz, H2O, predicted)
1H NMR Spectrum (1D, 800 MHz, H2O, predicted)
13C NMR Spectrum (1D, 226 MHz, H2O, predicted)
1H NMR Spectrum (1D, 900 MHz, H2O, predicted)
3-azabicyclo(3.2.2)nonane
  • Thymus quinquecostatus
ThumbC8H15N

125.2150 Da
125.12045 Da
13C NMR Spectrum (1D, 25 MHz, H2O, predicted)
1H NMR Spectrum (1D, 100 MHz, H2O, predicted)
13C NMR Spectrum (1D, 252 MHz, H2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)
13C NMR Spectrum (1D, 50 MHz, H2O, predicted)
1H NMR Spectrum (1D, 200 MHz, H2O, predicted)
13C NMR Spectrum (1D, 75 MHz, H2O, predicted)
1H NMR Spectrum (1D, 300 MHz, H2O, predicted)
13C NMR Spectrum (1D, 101 MHz, H2O, predicted)
1H NMR Spectrum (1D, 400 MHz, H2O, predicted)
13C NMR Spectrum (1D, 126 MHz, H2O, predicted)
1H NMR Spectrum (1D, 500 MHz, H2O, predicted)
13C NMR Spectrum (1D, 151 MHz, H2O, predicted)
1H NMR Spectrum (1D, 600 MHz, H2O, predicted)
13C NMR Spectrum (1D, 176 MHz, H2O, predicted)
1H NMR Spectrum (1D, 700 MHz, H2O, predicted)
13C NMR Spectrum (1D, 201 MHz, H2O, predicted)
1H NMR Spectrum (1D, 800 MHz, H2O, predicted)
13C NMR Spectrum (1D, 226 MHz, H2O, predicted)
1H NMR Spectrum (1D, 900 MHz, H2O, predicted)
1-methyl-hexahydro-1h-pyrrolizine
  • Crotalaria damarensis
ThumbC8H15N

125.2150 Da
125.12045 Da
13C NMR Spectrum (1D, 25 MHz, H2O, predicted)
1H NMR Spectrum (1D, 100 MHz, H2O, predicted)
13C NMR Spectrum (1D, 252 MHz, H2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)
13C NMR Spectrum (1D, 50 MHz, H2O, predicted)
1H NMR Spectrum (1D, 200 MHz, H2O, predicted)
13C NMR Spectrum (1D, 75 MHz, H2O, predicted)
1H NMR Spectrum (1D, 300 MHz, H2O, predicted)
13C NMR Spectrum (1D, 101 MHz, H2O, predicted)
1H NMR Spectrum (1D, 400 MHz, H2O, predicted)
13C NMR Spectrum (1D, 126 MHz, H2O, predicted)
1H NMR Spectrum (1D, 500 MHz, H2O, predicted)
13C NMR Spectrum (1D, 151 MHz, H2O, predicted)
1H NMR Spectrum (1D, 600 MHz, H2O, predicted)
13C NMR Spectrum (1D, 176 MHz, H2O, predicted)
1H NMR Spectrum (1D, 700 MHz, H2O, predicted)
13C NMR Spectrum (1D, 201 MHz, H2O, predicted)
1H NMR Spectrum (1D, 800 MHz, H2O, predicted)
13C NMR Spectrum (1D, 226 MHz, H2O, predicted)
1H NMR Spectrum (1D, 900 MHz, H2O, predicted)
gamma-Coniceine
  • Aloe ballyi
  • Aloe ballyii
  • Aloe deltoideodonta
  • Aloe descoingsii
  • Aloe gariepensis
  • Aloe gillilandii
  • Aloe globuligemma
  • Aloe gracilicaulis
  • Aloe ibitiensis
  • Aloe krapholiana
  • Aloe ortholopha
  • Aloe ruspoliana
  • Aloe ruspolina
  • Aloe sabaea
  • Aloe viguieri
  • Conium maculatum
  • Cynodon dactylon
  • Melissa officinalis L.
  • Pimpinella acuminata
  • Sarracenia alata
  • Sarracenia flava
  • Sarracenia leucophylla
  • Sarracenia minor
  • Sarracenia oreophila
  • Sarracenia psittacina
  • Sarracenia purpurea
  • Sarracenia rubra
  • Semnostachya menglaensis
  • (show allshow less)
ThumbC8H15N

125.2114 Da
125.12045 Da
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)
4-Methyl-5-vinylthiazole
  • Allium cepa
  • Allium fistulosum
  • Allium sativum
  • Theobroma cacao
ThumbC6H7NS

125.1910 Da
125.02992 Da
Not Available
2-Pyridinemethanethiol
  • Not Available
ThumbC6H7NS

125.1910 Da
125.02992 Da
Not Available
3-Methylhistamine
  • 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)
ThumbC6H11N3

125.1716 Da
125.09530 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)
1-Methylhistamine
  • Anas platyrhynchos
  • Anatidae
  • Anser anser
  • Bison bison
  • Bos taurus X Bison bison
  • Bos taurus
  • Bubalus bubalis
  • Capra aegagrus hircus
  • Casimiroa edulis
  • 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 allshow less)
ThumbC6H11N3

125.1716 Da
125.09530 Da
1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)
nα-methylhistamine
  • Casimiroa edulis
  • Mus musculus
ThumbC6H11N3

125.1716 Da
125.09530 Da
13C NMR Spectrum (1D, 25 MHz, H2O, predicted)
1H NMR Spectrum (1D, 100 MHz, H2O, predicted)
13C NMR Spectrum (1D, 252 MHz, H2O, predicted)
1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)
13C NMR Spectrum (1D, 50 MHz, H2O, predicted)
1H NMR Spectrum (1D, 200 MHz, H2O, predicted)
13C NMR Spectrum (1D, 75 MHz, H2O, predicted)
1H NMR Spectrum (1D, 300 MHz, H2O, predicted)
13C NMR Spectrum (1D, 101 MHz, H2O, predicted)
1H NMR Spectrum (1D, 400 MHz, H2O, predicted)
13C NMR Spectrum (1D, 126 MHz, H2O, predicted)
1H NMR Spectrum (1D, 500 MHz, H2O, predicted)
13C NMR Spectrum (1D, 151 MHz, H2O, predicted)
1H NMR Spectrum (1D, 600 MHz, H2O, predicted)
13C NMR Spectrum (1D, 176 MHz, H2O, predicted)
1H NMR Spectrum (1D, 700 MHz, H2O, predicted)
13C NMR Spectrum (1D, 201 MHz, H2O, predicted)
1H NMR Spectrum (1D, 800 MHz, H2O, predicted)
13C NMR Spectrum (1D, 226 MHz, H2O, predicted)
1H NMR Spectrum (1D, 900 MHz, H2O, predicted)
2-acetyl-1,4,5,6-tetrahydropyridine
  • Not Available
ThumbC7H11NO

125.1710 Da
125.08406 Da
Not Available
Montiporyne E
  • Montipora sp.
ThumbC7H11NO

125.1710 Da
125.08406 Da
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)
5-Methyl-2-propyloxazole
  • Coffea arabica L.
  • Coffea canephora
ThumbC7H11NO

125.1683 Da
125.08406 Da
Not Available
2-Ethyl-4,5-dimethyloxazole
  • Coffea arabica L.
  • Coffea canephora
  • Solanum tuberosum
ThumbC7H11NO

125.1683 Da
125.08406 Da
Not Available
4-Ethyl-2,5-dimethyloxazole
  • Coffea arabica L.
  • Coffea canephora
  • Solanum tuberosum
ThumbC7H11NO

125.1683 Da
125.08406 Da
Not Available
5-Ethyl-2,4-dimethyloxazole
  • Coffea arabica L.
  • Coffea canephora
  • Solanum tuberosum
ThumbC7H11NO

125.1683 Da
125.08406 Da
Not Available
4-Butyloxazole
  • Solanum lycopersicum
ThumbC7H11NO

125.1683 Da
125.08406 Da
Not Available
Displaying natural products 289601 - 289625 of 291370 in total