NP-MRD: Browsing natural products

Displaying natural products 551 - 575 of 291370 in total

NP-MRD ID
CAS Number Compound Name Species of Origin Chemical Structure Chemical Formula
Average Mass
Monoisotopic Mass NMR Spectra

NP0083986

ehtane-1, 1-dithiol

Durio zibethinus

C₂H₆S₂

94.1990 Da
93.99109 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)

NP0338318

1,2-Ethanedithiol

Not Available

C₂H₆S₂

94.1990 Da
93.99109 Da

Not Available

NP0002714

Chloroacetic Acid

Not Available

C₂H₃ClO₂

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)

NP0334086

Phosphate

Not Available

O₄P

94.9714 Da
94.95342 Da

Not Available

NP0048438

1003-29-8

1H-Pyrrole-2-carboxaldehyde

Capparis spinosa
Coffea arabica L.
Coffea canephora
Polygala senega
Scutellaria baicalensis
Theobroma cacao
(show all show less)

C₅H₅NO

95.0993 Da
95.03711 Da

Not Available

NP0054953

2-Hydroxypyridine

Arabidopsis thaliana
Lotus corniculatus
Lotus creticus
Medicago sativa
Pogostemon cablin
Salvia divinorum
(show all show less)

C₅H₅NO

95.0993 Da
95.03711 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)

NP0054954

4-Hydroxypyridine

Arabidopsis thaliana
Triticum aestivum

C₅H₅NO

95.0993 Da
95.03711 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)

NP0083778

3-Hydroxypyridine

Capsicum annuum
Paeonia lactiflora
Paeonia suffruticosa
Salvia divinorum
Triticum aestivum

C₅H₅NO

95.0993 Da
95.03711 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)

NP0337037

2,5-Dimethyl-1H-pyrrole

Not Available

C₆H₉N

95.1424 Da
95.07350 Da

Not Available

NP0153455

1h-pyrrole, 1-ethyl-

Coffea arabica

C₆H₉N

95.1450 Da
95.07350 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)

NP0047094

Potassium oxide

Gossypium
Tamarindus indica

HK₂O

95.2030 Da
94.92960 Da

Not Available

NP0338124

Magnesium dichloride

Not Available

Cl₂Mg

95.2110 Da
93.92275 Da

Not Available

NP0046206

7439-98-7

Molybdenum

Allium cepa
Allium sativum
Anacardium occidentale
Anethum graveolens
Apium graveolens
Armoracia rusticana
Artemisia vulgaris
Asparagus officinalis
Brassica oleracea var. capitata
Brassica oleracea var. gemmifera
Brassica oleracea var. italica
Capsicum annuum
Chenopodium album
Cichorium endivia
Citrus X sinensis (L.) Osbeck (pro. sp.)
Citrus reticulata
Cocos nucifera
Corylus avellana
Cucumis melo
Cucumis sativus L.
Cucurbita maxima
Daucus carota
Daucus carota ssp. sativus
Diospyros virginiana
Fagopyrum esculentum
Glycine max
Juglans cinerea
Juglans nigra L.
Lactuca sativa
Linum usitatissimum
Malus pumila
Musa x paradisiaca
Pastinaca sativa
Petasites japonicus
Petroselinum crispum
Phaseolus lunatus
Phaseolus vulgaris
Pisum sativum
Prunus domestica
Prunus dulcis
Prunus persica
Pyrus communis
Raphanus sativus
Rheum rhabarbarum
Ribes nigrum
Ribes rubrum
Ribes uva-crispa
Rubus chamaemorus
Solanum lycopersicum var. lycopersicum
Solanum melongena
Solanum tuberosum
Spinacia oleracea
Taraxacum officinale
Vaccinium macrocarpon
Vaccinium myrtillus
Valerianella locusta
Vigna unguiculata ssp. unguiculata
Vitis vinifera L.
Zea mays L.
(show all show less)

Mo

95.9400 Da
97.90541 Da

Not Available

NP0334079

Hydrogen phosphate

Not Available

HO₄P

95.9793 Da
95.96125 Da

Not Available

NP0338445

Sodium propionate

Not Available

C₃H₅NaO₂

96.0604 Da
96.01872 Da

Not Available

NP0001221

98-01-1

2-Furancarboxaldehyde

Agathosma betulina
Angelica gigas
Asarum canadense
Avena sativa
Basella alba
Botrytis cinerea
Campsis grandiflora
Cannabis sativa
Capparis spinosa
Castanopsis cuspidata
Centaurea atropurpurea
Centella asiatica
Cichorium endivia
Cinnamomum verum
Citrus aurantiifolia
Coffea arabica
Coffea arabica L.
Coffea canephora
Dactylanthus taylorii
Daphne genkwa
Dittrichia graveolens
Garcinia mangostana
Geum heterocarpum
Glycyrrhiza glabra
Helianthus tuberosus
Lantana camara
Mangifera indica
Manilkara zapota
Melissa officinalis
Musa paradisiaca
Paeonia lactiflora
Paeonia suffruticosa
Phaseolus vulgaris
Polygala senega
Prunus dulcis
Pueraria montana
Saussurea involucrata
Sinapis alba
Streptomyces cavourensis
Swertia japonica
Syzygium aromaticum
Tamarindus indica
Theobroma cacao
Tricholoma matsutake
Trifolium incarnatum
Trypanosoma brucei
Vetiveria zizanioides
Vitis rotundifolia
Vitis vinifera
Zingiber officinale
(show all show less)

C₅H₄O₂

96.0841 Da
96.02113 Da

¹H NMR Spectrum (1D, 90 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 25 MHz, CDCl₃, experimental)
¹H NMR Spectrum (1D, 700 MHz, H₂O, simulated)
¹H NMR Spectrum (1D, 700 MHz, H₂O, experimental)

NP0050270

Protoanemonene

Anemone alpina
Caltha palustris
Clematis alpina
Clematis chinensis
Clematis flammula
Clematis microphylla
Clematis montana
Clematis recta
Clematis vitalba
Ficaria verna
Helleborus odorus
Pulsatilla pratensis
Pulsatilla vulgaris
Ranunculus acris
Ranunculus bulbosus
Ranunculus cantoniensis
Ranunculus multifidus
Ranunculus sceleratus
Ranunculus spp.
Trollius europaeus
(show all show less)

C₅H₄O₂

96.0841 Da
96.02113 Da

Not Available

NP0075365

gamma-Pyrone

Siraitia grosvenorii
Zanthoxylum simulans

C₅H₄O₂

96.0850 Da
96.02113 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)

NP0085700

3-Furaldehyde

Santalum album

C₅H₄O₂

96.0850 Da
96.02113 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)

NP0299852

α-pyrone

Sanguisorba canadensis

C₅H₄O₂

96.0850 Da
96.02113 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)

NP0336561

Ammonium carbonate

Not Available

CH₈N₂O₃

96.0858 Da
96.05349 Da

Not Available

NP0044380

75-75-2

Mesylate

Cannabis sativa

CH₄O₃S

96.1060 Da
95.98811 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)

NP0046409

10193-36-9

Silicic acid

Avena sativa L.
Borago officinalis
Fagopyrum esculentum
Oryza sativa
Phaseolus vulgaris

H₄O₄Si

96.1149 Da
95.98789 Da

Not Available

NP0045104

2758-18-1

3-methyl-2-cyclopenten-1-one

Cannabis sativa
Capsicum annuum
Foeniculum vulgare

C₆H₈O

96.1271 Da
96.05751 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)

NP0047506

3710-43-8

2,4-Dimethylfuran

Allium cepa
Allium fistulosum

C₆H₈O

96.1271 Da
96.05751 Da

Not Available

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