NP0002711 | 3-Butyn-1-Ol | | | C4H6O
70.0910 Da 70.04186 Da | |
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 allshow 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 | | | 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 | | | 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 | | | 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 allshow 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 | | | 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 | | | 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 | | | 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 | | | 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) |
|
NP0002725 | Ethanesulfonic acid | | | C2H5O3S
109.1200 Da 108.99649 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) |
|
NP0002726 | DL-alpha,epsilon-Diaminopimelic acid | | | C7H14N2O4
190.1971 Da 190.09536 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) |
|
NP0002727 | Ala-Ala | - Arabidopsis thaliana
- Escherichia coli
- Paraburkholderia phymatum
| | C6H12N2O3
160.1711 Da 160.08479 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) |
|
NP0002729 | Tropic acid | - Datura stamonium
- Erythroxylum australe
- Mandragora autumnalis
| | C9H10O3
166.1760 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) |
|
NP0002730 | p-Toluic acid | - Aloe africana
- Artemisia afra
- Homo sapiens
- Solanum tuberosum
| | C8H8O2
136.1479 Da 136.05243 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) |
|
NP0002731 | Acetylenedicarboxylic acid | | | C4H2O4
114.0560 Da 113.99531 Da | |
NP0002732 | 4-Chlorocatechol | | | C6H5ClO2
144.5560 Da 143.99781 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) |
|
NP0002733 | 5-Methylcytosine | - 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
- Luffa acutangula
- Melanitta fusca
- Meleagris gallopavo
- Numida meleagris
- Odocoileus
- Oryctolagus
- Ovis aries
- Phasianidae
- Phasianus colchicus
- Struthio camelus
- Sus scrofa
- Sus scrofa domestica
- (show allshow less)
| | C5H7N3O
125.1286 Da 125.05891 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, 601 MHz, CDCl3, experimental) | 1H NMR Spectrum (1D, 601 MHz, CD3OD, experimental) |
|
NP0002734 | 4-Hydroxy-3-methoxycinnamaldehyde | | | C10H10O3
178.1846 Da 178.06299 Da | 1H NMR Spectrum (1D, 801 MHz, CD3OD, experimental) | 1H NMR Spectrum (1D, 801 MHz, CD3OD, experimental) | 1H NMR Spectrum (1D, 601 MHz, CD3OD, experimental) | 1H NMR Spectrum (1D, 601 MHz, CD3OD, experimental) |
|
NP0002736 | R-(-)-Citramalic acid | - Arabidopsis thaliana
- Hylocereus undatus
- Lotus corniculatus
- Lotus uliginosus
| | C5H8O5
148.1140 Da 148.03717 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) |
|
NP0002738 | DL-Homocysteine | | | C4H9NO2S
135.1800 Da 135.03540 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) |
|
NP0002739 | Cyclohexanol | - Abelmoschus esculentus
- Gossypium hirsutum
- Monodora myristica
- Ocimum basilicum
- Solanum lycopersicum var. lycopersicum
| | C6H12O
100.1589 Da 100.08882 Da | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 50 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) | 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) | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) |
|
NP0002740 | 4-Chlorobenzoic acid | | | C7H5ClO2
156.5660 Da 155.99781 Da | |
NP0002741 | D-Glucosaminic acid | - Medicago sativa
- Triticum aestivum
| | C6H13NO6
195.1705 Da 195.07429 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) |
|