NP-MRD: Browsing natural products

Displaying natural products 1301 - 1325 of 281787 in total

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

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 all show less)

C₁₉H₂₂O₆

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

C₆H₁₀O₃

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

C₉H₁₃N₃O₄

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 all show less)

C₉H₁₀O₃

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

C₇H₅ClO₂

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

C₇H₈O₂

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

C₆H₄Cl₂O₂

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 all show less)

C₆H₁₂O₃

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 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 201 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
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 , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0002705

Barbituric acid

Not Available

C₄H₄N₂O₃

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 all show less)

C₁₀H₁₄N₅O₇P

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

C₅H₉NO₄

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

C₆H₅ClO₂

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

C₂H₅ClO

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

C₄H₈O₃

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

C₄H₆O

70.0910 Da
70.04186 Da

¹H NMR Spectrum (1D, 500 MHz, D₂O, experimental)

NP0002712

Propargyl alcohol

Anethum foeniculum
Foeniculum vulgare

C₃H₄O

56.0633 Da
56.02621 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)
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)

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 all show less)

C₁₂H₁₆O₇

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 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 201 MHz, CD₃OD, simulated)
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 , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

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)

NP0002715

cis-3-chloroacrylic acid

Not Available

C₃H₃ClO₂

106.5080 Da
105.98216 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)

NP0002717

N-Carbamyl-L-glutamic acid

Not Available

C₆H₁₀N₂O₅

190.1540 Da
190.05897 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)

NP0002718

L-Cysteic acid

Anas platyrhynchos
Anatidae
Anser anser
Apis cerana
Bison bison
Bos taurus X Bison bison
Bos taurus
Bubalus bubalis
Capra aegagrus hircus
Cervidae
Cervus canadensis
Claviceps purpurea
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
Pseudotsuga menziesii
Puccinia graminis
Struthio camelus
Sus scrofa
Sus scrofa domestica
(show all show less)

C₃H₇NO₅S

169.1560 Da
169.00449 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)

NP0002719

(R)-(-)-Pantolactone

Not Available

C₆H₁₀O₃

130.1418 Da
130.06299 Da

¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 25 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)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 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)

NP0002722

4-Chlorophenylacetate

Apis cerana

C₈H₇ClO₂

170.5930 Da
170.01346 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)

NP0002723

alpha-((Methylamino)methyl)benzyl alcohol

Not Available

C₉H₁₃NO

151.2090 Da
151.09971 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)

NP0002724

DL-Methionine sulfoxide

Not Available

C₅H₁₁NO₃S

165.2110 Da
165.04596 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 281787 in total

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