NP0047300 10152-76-8 | 3-(Methylthio)-1-propene | - Allium cepa
- Allium fistulosum
- Allium sativum
- Zingiber officinale
| | C4H8S
88.1710 Da 88.03467 Da | Not Available |
NP0000792 110-60-1 | Putrescine | - Abelmoschus esculentus
- Actinidia chinensis
- Agaricus bisporus
- Agave
- Allium ampeloprasum
- Allium ascalonicum
- Allium cepa
- Allium fistulosum
- Allium sativum
- Allium schoenoprasum
- Allium tuberosum
- Allium cepa L.
- Aloysia triphylla
- Amaranthus
- Amelanchier alnifolia
- Anacardium occidentale
- Ananas comosus
- Anas platyrhynchos
- Anatidae
- Anethum graveolens
- Angelica keiskei
- Anisodus belladonna
- Annona cherimola
- Annona muricata
- Annona reticulata
- Annona squamosa
- Anser anser
- Anthriscus cerefolium
- Apium graveolens
- Apium graveolens var. dulce
- Apium graveolens var. rapaceum
- Apium graveolens var. secalinum
- Arabidopsis thaliana
- Arachis hypogaea
- Arctium lappa
- Armoracia rusticana
- Artemisia dracunculus
- Artemisia vulgaris
- Artocarpus altilis
- Artocarpus heterophyllus
- Asparagus officinalis
- Atropa acuminata
- Attalea speciosa
- Auricularia auricula-judae
- Auricularia polytricha
- Avena sativa
- Avena sativa L.
- Averrhoa carambola
- Basella alba
- Benincasa hispida
- Bergera koenegii
- Bertholletia excelsa
- Beta vulgaris
- Beta vulgaris ssp. cicla
- Bison bison
- Borago officinalis
- Bos taurus X Bison bison
- Bos taurus
- Brassica alboglabra
- Brassica juncea
- Brassica napus
- Brassica oleracea
- Brassica oleracea var. botrytis
- Brassica oleracea var. capitata
- Brassica oleracea var. gemmifera
- Brassica oleracea var. gongylodes
- Brassica oleracea var. italica
- Brassica oleracea var. sabauda
- Brassica oleracea var. viridis
- Brassica rapa
- Brassica rapa ssp. chinensis
- Brassica rapa var. pekinensis
- Brassica rapa var. rapa
- Brassica ruvo
- Brassica napus var. napus
- Brosimum alicastrum
- Brugmansia x candida
- Bubalus bubalis
- Byrsonima crassifolia
- Cajanus cajan
- Canarium ovatum
- Canavalia gladiata
- Cannabis sativa
- Cantharellus cibarius
- Capparis spinosa
- Capra aegagrus hircus
- Capsicum annuum
- Capsicum annuum var. annuum
- Capsicum chinense
- Capsicum pubescens
- Capsicum annuum L.
- Carica papaya L.
- Carissa macrocarpa
- Carthamus tinctorius
- Carum carvi
- Carya
- Carya illinoinensis
- Castanea
- Castanea crenata
- Castanea mollissima
- Castanea sativa
- Catharanthus roseus
- Ceratonia siliqua
- Cervidae
- Cervus canadensis
- Chamaemelum nobile
- Chamerion angustifolium
- Chenopodium album
- Chenopodium quinoa
- Chlamydomonas reinhardtii
- Chrysanthemum coronarium
- Cicer arietinum
- Cichorium endivia
- Cichorium intybus
- Cinnamomum
- Cinnamomum aromaticum
- Cinnamomum verum
- Cirsium
- Citrullus lanatus
- Citrus X sinensis (L.) Osbeck (pro. sp.)
- Citrus aurantiifolia
- Citrus latifolia
- Citrus limon
- Citrus maxima
- Citrus paradisi
- Citrus reticulata
- Citrus sinensis
- Citrus ×limon (L.) Burm. f. (pro sp.)
- Cocos nucifera
- Coffea arabica L.
- Coffea canephora
- Colocasia esculenta
- Columba
- Columbidae
- Corchorus olitorius
- Coriandrum sativum L.
- Corydalis yanhusuo
- Corylus
- Corylus avellana
- Coryphaena hippurus
- Crateva religiosa
- Crocus sativus
- Cucumis melo
- Cucumis metuliferus
- Cucumis sativus L.
- Cucurbita
- Cucurbita maxima
- Cucurbita moschata
- Cuminum cyminum
- Curcuma longa
- Cyanidium caldarium
- Cydonia oblonga
- Cymbopogon citratus
- Cynara cardunculus
- Cynara scolymus
- Daphnia magna
- Datura metel
- Datura stramonium
- Daucus carota
- Daucus carota ssp. sativus
- Dimocarpus longan
- Dioscorea
- Dioscorea pentaphylla
- Diospyros
- Diospyros kaki
- Diospyros virginiana
- Dromaius novaehollandiae
- Durio zibethinus
- Dysphania ambrosioides
- Elaeis
- Eleocharis dulcis
- Elettaria cardamomum
- Empetrum nigrum
- Equus caballus
- Eragrostis tef
- Eriobotrya japonica
- Eruca vesicaria subsp. Sativa
- Erythoxylum coca
- Eugenia javanica
- Eugenia uniflora
- Eutrema japonicum
- Fagopyrum esculentum
- Fagopyrum tataricum
- Fagus
- Feijoa sellowiana
- Ficus carica
- Flammulina velutipes
- Foeniculum vulgare
- Fragaria x ananassa
- Galleria mellonella
- Gallus gallus
- Garcinia mangostana
- Gaylussacia baccata
- Ginkgo biloba
- Glycine max
- Glycine soja
- Gossypium
- Grifola frondosa
- Hedysarum alpinum
- Helianthus annuus L.
- Helianthus tuberosus
- Helix pomatia
- Hibiscus sabbariffa
- Hippophae rhamnoides
- Hippospongia communis
- Hordeum vulgare
- Hypholoma fasciculare
- Hyssopus officinalis L.
- Illicium verum
- Ipomoea aquatica
- Ipomoea batatas
- Juglans
- Juglans ailanthifolia
- Juglans cinerea
- Juglans nigra L.
- Juglans regia
- Lablab purpureus
- Lactuca sativa
- Lagenaria siceraria
- Lagopus muta
- Lathyrus sativus
- Laurus nobilis L.
- Lens culinaris
- Lentinus edodes
- Lepidium sativum
- Leporidae
- Lepus timidus
- Levisticum officinale
- Linum usitatissimum
- Litchi chinensis
- Litoria verreauxii
- Lotus corniculatus
- Lotus glaber
- Luffa aegyptiaca
- Lupinus
- Lupinus albus
- Lyallia kerguelensis
- Macadamia
- Macadamia tetraphylla
- Malpighia emarginata
- Malus
- Malus pumila
- Mammea americana
- Mangifera indica
- Manihot esculenta
- Manilkara zapota
- Maranta arundinacea
- Matricaria recutita
- Matteuccia struthiopteris
- Medicago sativa
- Melanitta fusca
- Meleagris gallopavo
- Melissa officinalis L.
- Mentha
- Mentha aquatica
- Mentha arvensis
- Mentha spicata
- Mentha x piperita
- Mespilus germanica
- Metroxylon sagu
- Momordica charantia
- Morchellaceae
- Morella rubra
- Moringa oleifera
- Morus
- Morus nigra
- Murraya paniculata
- Musa acuminata
- Musa paradisiaca
- Musa x paradisiaca
- Mus musculus
- Myrica
- Myristica fragrans
- Nelumbo
- Nelumbo nucifera
- Nephelium lappaceum
- Nicotiana alata
- Nicotiana tabacum
- Numida meleagris
- Nuphar lutea
- Ocimum basilicum
- Odocoileus
- Oenothera biennis
- Olea europaea
- Opuntia
- Opuntia cochenillifera
- Opuntia macrorhiza
- Origanum X majoricum
- Origanum majorana
- Origanum onites
- Origanum vulgare
- Oryctolagus
- Oryza rufipogon
- Oryza sativa
- Ovis aries
- Pachyrhizus erosus
- Panax ginseng
- Pangium edule
- Panicum miliaceum
- Passiflora edulis
- Pastinaca sativa
- Pediomelum esculentum
- Perideridia oregana
- Persea americana
- Petasites japonicus
- Petroselinum crispum
- Phaseolus coccineus
- Phaseolus lunatus
- Phaseolus vulgaris
- Phasianidae
- Phasianus colchicus
- Phoenix dactylifera
- Photinia melanocarpa
- Phyllostachys edulis
- Physalis
- Physalis philadelphica var. immaculata
- Phytolacca americana
- Picea glauca
- Pimenta dioica
- Pimpinella anisum
- Pinus
- Pinus edulis
- Piper nigrum L.
- Pistacia vera
- Pisum sativum
- Pleurotus ostreatus
- Pogostemon cablin
- Polygonum alpinum
- Populus tremula
- Portulaca oleracea
- Pouteria sapota
- Prunus armeniaca
- Prunus avium
- Prunus cerasus
- Prunus domestica
- Prunus dulcis
- Prunus persica
- Prunus persica var. nucipersica
- Prunus persica var. persica
- Prunus tomentosa
- Prunus virginiana
- Prunus avium L.
- Psidium cattleianum
- Psidium guajava
- Psophocarpus tetragonolobus
- Punica granatum
- Pyrus communis
- Pyrus pyrifolia
- Quercus
- Raphanus sativus
- Raphanus sativus var. longipinnatus
- Raphanus sativus var. sativus
- Rheum rhabarbarum
- Ribes aureum
- Ribes glandulosum
- Ribes nigrum
- Ribes rubrum
- Ribes uva-crispa
- Rosa
- Rubus arcticus
- Rubus chamaemorus
- Rubus idaeus
- Rubus occidentalis
- Rubus spectabilis
- Rumex
- Rumex acetosa
- Rumex articus
- Sagittaria latifolia
- Salix pulchra
- Salmonella enterica
- Salvia elegans
- Salvia hispanica
- Salvia officinalis
- Salvia rosmarinus
- Sambucus nigra
- Sambucus nigra L.
- Santalum album
- Satureja hortensis L.
- Satureja montana
- Scorzonera hispanica
- Secale cereale
- Sechium edule
- Senecio vernalis
- Senecio vulgaris
- Sesamum indicum
- Sesbania bispinosa
- Sinapis alba
- Sisymbrium
- Solanum lycopersicum
- Solanum lycopersicum var. cerasiforme
- Solanum lycopersicum var. lycopersicum
- Solanum melongena
- Solanum quitoense
- Solanum tuberosum
- Solanum lycopersicum L.
- Sorbus aucuparia
- Sorghum bicolor
- Spinacia oleracea
- Struthio camelus
- Sus scrofa
- Sus scrofa domestica
- Synechococcus elongatus
- Syzygium aromaticum
- Syzygium cumini
- Syzygium jambos
- Tamarindus indica
- Taraxacum officinale
- Tetragonia tetragonioides
- Thelesperma
- Thymus pulegioides
- Thymus vulgaris
- Tilia cordata
- Tilia L.
- Tragopogon porrifolius
- Trapa natans
- Trigonella foenum-graecum
- Triticum
- Triticum aestivum
- Triticum durum
- Triticum spelta
- Triticum turanicum
- Trypanosoma brucei
- Typha angustifolia
- Utricularia intermedia
- Vaccinium
- Vaccinium angustifolium
- Vaccinium angustifolium X Vaccinium corymbosum
- Vaccinium arboreum
- Vaccinium corymbosum
- Vaccinium deliciosum
- Vaccinium elliottii
- Vaccinium macrocarpon
- Vaccinium myrtilloides
- Vaccinium myrtillus
- Vaccinium ovalifolium
- Vaccinium ovatum
- Vaccinium oxycoccos
- Vaccinium parvifolium
- Vaccinium reticulatum
- Vaccinium stamineum
- Vaccinium uliginosum
- Vaccinium vitis-idaea
- Valerianella locusta
- Vanilla
- Verbena officinalis
- Viburnum edule
- Vicia faba
- Vigna aconitifolia
- Vigna angularis
- Vigna mungo
- Vigna radiata
- Vigna umbellata
- Vigna unguiculata
- Vigna unguiculata ssp. cylindrica
- Vigna unguiculata ssp. unguiculata
- Vigna unguiculata var. sesquipedalis
- Vitis
- Vitis aestivalis
- Vitis labrusca
- Vitis rotundifolia
- Vitis vinifera
- Vitis vinifera L.
- Xanthoselinum alsaticum
- Xanthosoma sagittifolium
- Zea mays L.
- Zingiber officinale
- Zizania
- Zizania aquatica
- Ziziphus zizyphus
- (show allshow less)
| | C4H12N2
88.1515 Da 88.10005 Da | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | 13C NMR Spectrum (1D, 400 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 700 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 700 MHz, H2O, experimental) | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) |
|
NP0178604 | (2s)-3-methylbutan-2-ol | | | C5H12O
88.1500 Da 88.08882 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) |
|
NP0180394 | methyl isobutyl ether | | | C5H12O
88.1500 Da 88.08882 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) |
|
NP0045106 584-02-1 | 3-Pentanol | - Artemisia capillaris
- Cannabis sativa
- Cichorium endivia
- Medicago sativa
- Olea europaea
- Opuntia ficus-indica
- Vaccinium macrocarpon
- Zingiber mioga
- (show allshow less)
| | C5H12O
88.1500 Da 88.08882 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) |
|
NP0331084 | (S)-2-Methyl-1-butanol | | | C5H12O
88.1500 Da 88.08882 Da | Not Available |
NP0300743 | (s)-2-pentanol | - Medicago sativa
- Vaccinium macrocarpon
| | C5H12O
88.1500 Da 88.08882 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) |
|
NP0000979 1565-80-6 | (S)-2-Methyl-1-butanol | - Aloe africana
- Aloe arborescens
- Ananas comosus
- Brassica oleracea var. gongylodes
- Bystropogon plumosus
- Camellia sinensis
- Capsicum annuum
- Foeniculum vulgare
- Glycine max
- Gossypium hirsutum
- Juglans nigra
- Malus pumila
- Mangifera indica
- Mentha spicata
- Myrtus communis
- Paeonia lactiflora
- Phaseolus vulgaris
- Plectranthus glabratus
- Plumeria rubra
- Prunus avium
- Solanum lycopersicum
- Spondias mombin
- Trifolium pratense
- Tuber melanosporum
- Vaccinium myrtillus
- Vaccinium vitis-idaea
- Vigna radiata
- Zea mays
- Zea mays L.
- (show allshow less)
| | C5H12O
88.1482 Da 88.08882 Da | 13C NMR Spectrum (1D, 25 MHz, CDCl3, experimental) | 13C NMR Spectrum (1D, 700 MHz, H2O, simulated) | 13C NMR Spectrum (1D, 700 MHz, H2O, experimental) | 1H NMR Spectrum (1D, 700 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 700 MHz, H2O, experimental) | 1H NMR Spectrum (1D, 700 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 700 MHz, H2O, experimental) |
|
NP0022088 | PA-789-80 | - Marasmius
- Mycetinis alliaceus
| | C7H4
88.1090 Da 88.03130 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) |
|
NP0002662 | 1,3-Dimethylurea | | | C3H8N2O
88.1084 Da 88.06366 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) |
|
NP0179670 | 2-butene-1,4-diol (trans) | | | C4H8O2
88.1060 Da 88.05243 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) |
|
NP0083714 | 2-(Vinyloxy)ethanol | | | C4H8O2
88.1060 Da 88.05243 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) |
|
NP0177244 | aldol | - Hymenophyton flabellatum
- Streptomyces venezuelae
| | C4H8O2
88.1060 Da 88.05243 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) |
|
NP0189186 | methyl propionate | - Actinidia chinensis
- Ananas comosus
- Coffea arabica
| | C4H8O2
88.1051 Da 88.05243 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) |
|
NP0049594 110-74-7 | Propyl formate | - Aloe africana
- Ananas comosus
- Malus pumila
| | C4H8O2
88.1051 Da 88.05243 Da | Not Available |
NP0049674 625-55-8 | Isopropyl formate | - Agaricus bisporus
- Coffea arabica
- Coffea arabica L.
- Coffea canephora
- Pleurotus ostreatus
| | C4H8O2
88.1051 Da 88.05243 Da | Not Available |
NP0000892 107-92-6 | Butyric acid | - Abelmoschus esculentus
- Abramis brama
- Acipenseridae
- Actinidia chinensis
- Aethusa cynapium
- Agaricus bisporus
- Ajania fastigiata
- Allium sativum
- Allium schoenoprasum
- Allium cepa L.
- Anacardium occidentale
- Ananas comosus
- Anarhichas lupus
- Anas platyrhynchos
- Anatidae
- Anethum graveolens
- Anguilliformes
- Annona cherimola
- Anser anser
- Anthriscus cerefolium
- Apium graveolens
- Apium graveolens var. rapaceum
- Apium graveolens var. secalinum
- Arachis hypogaea
- Arctium lappa
- Armoracia rusticana
- Artemisia dracunculus
- Artemisia xerophytica
- Asparagus officinalis
- Astacidea
- Avena sativa L.
- Averrhoa carambola
- Belone belone
- Bergera koenegii
- Bertholletia excelsa
- Beta vulgaris ssp. cicla
- Bison bison
- Blattella germanica
- Bos taurus X Bison bison
- Bos taurus
- Brachyura
- Brassica juncea
- Brassica napus
- Brassica oleracea
- Brassica oleracea var. botrytis
- Brassica oleracea var. gemmifera
- Brassica oleracea var. gongylodes
- Brassica oleracea var. italica
- Brassica oleracea var. sabauda
- Brassica rapa
- Brassica rapa ssp. chinensis
- Brassica rapa var. rapa
- Brassica napus var. napus
- Bubalus bubalis
- Cannabis sativa
- Cantharellus cibarius
- Capra aegagrus hircus
- Capsicum annuum
- Capsicum annuum var. annuum
- Carica papaya L.
- Caridea
- Carthamus tinctorius
- Carya illinoinensis
- Castanea
- Ceratonia siliqua
- Cervidae
- Cervus canadensis
- Cicer arietinum
- Cichlidae
- Cichorium endivia
- Cichorium intybus
- Cinnamomum
- Cirsium
- Citrullus lanatus
- Citrus X sinensis (L.) Osbeck (pro. sp.)
- Citrus aurantiifolia
- Citrus limon
- Citrus paradisi
- Citrus reticulata
- Citrus ×limon (L.) Burm. f. (pro sp.)
- Clupeinae
- Cocos nucifera
- Coffea arabica
- Coffea arabica L.
- Coffea canephora
- Columba
- Columbidae
- Coregonus
- Coriandrum sativum L.
- Corylus
- Crassostrea gigas
- Crassostrea virginica
- Cucumis melo
- Cucumis sativus L.
- Cucurbita
- Cucurbita maxima
- Cyclopteridae
- Cydonia oblonga
- Cynara scolymus
- Daucus carota
- Daucus carota ssp. sativus
- Dioscorea
- Diospyros
- Dromaius novaehollandiae
- Durio zibethinus
- Elaeis
- Elettaria cardamomum
- Engraulidae
- Equus caballus
- Eriobotrya japonica
- Esox lucius
- Eucheuma
- Euphorbia tithymaloides
- Fagopyrum esculentum
- Ficus carica
- Foeniculum vulgare
- Fragaria x ananassa
- Gadiformes
- Gadus
- Gallus gallus
- Gastropoda
- Ginkgo biloba
- Glycine max
- Glycyrrhiza glabra
- Gossypium
- Helianthus annuus L.
- Helianthus tuberosus
- Hibiscus sabbariffa
- Hippoglossus hippoglossus
- Homo sapiens (Urine)
- Hoplostethus atlanticus
- Hordeum vulgare
- Ictalurus punctatus
- Inula grandis
- Ipomoea batatas
- Juglans
- Juglans nigra L.
- Lactuca sativa
- Lagopus muta
- Laurus nobilis L.
- Lens culinaris
- Lepidium sativum
- Leporidae
- Lepus timidus
- Levisticum officinale
- Limanda limanda
- Linum usitatissimum
- Litchi chinensis
- Lota lota
- Malus
- Malus pumila
- Mangifera indica
- Manihot esculenta
- Medicago sativa
- Melanitta fusca
- Melanogrammus aeglefinus
- Meleagris gallopavo
- Mentha spicata
- Merlangius merlangus
- Micromesistius poutassou
- Microstomus kitt
- Molva molva
- Musa x paradisiaca
- Myristica fragrans
- Mytilidae
- Nephropidae
- Nephrops norvegicus
- Numida meleagris
- Nuphar lutea
- Ocimum basilicum
- Octopus vulgaris
- Odocoileus
- Olea europaea
- Oncorhynchus gorbuscha
- Oncorhynchus kisutch
- Oncorhynchus mykiss
- Oncorhynchus nerka
- Opuntia
- Oryctolagus
- Oryza sativa
- Ovis aries
- Panax ginseng
- Panicum miliaceum
- Papaver
- Paraburkholderia phymatum
- Passiflora edulis
- Pastinaca sativa
- Pectinidae
- Pelargonium graveolens
- Perciformes
- Peristeria elata
- Persea americana
- Petroselinum crispum
- Phaseolus lunatus
- Phaseolus vulgaris
- Phasianidae
- Phasianus colchicus
- Phoenix dactylifera
- Phyllostachys edulis
- Physalis
- Pimpinella anisum
- Pinus
- Piper nigrum L.
- Pistacia vera
- Pisum sativum
- Pleuronectidae
- Pleuronectiformes
- Pleurotus ostreatus
- Pollachius
- Polygala senega
- Prunus armeniaca
- Prunus domestica
- Prunus dulcis
- Prunus persica
- Prunus persica var. nucipersica
- Prunus avium L.
- Psidium guajava
- Pueraria montana
- Punica granatum
- Pycnandra acuminata
- Pyrus communis
- Ranidae
- Raphanus sativus
- Raphanus sativus var. longipinnatus
- Reinhardtius hippoglossoides
- Rheum rhabarbarum
- Rhododendron sichotense
- Ribes nigrum
- Ribes rubrum
- Ribes uva-crispa
- Rosa
- Rubus idaeus
- Rumex acetosa
- Saccharina japonica
- Salmonidae
- Salvelinus
- Salvelinus namaycush
- Salvia dorisiana
- Sambucus nigra L.
- Sander lucioperca
- Scombridae
- Scophthalmus maximus
- Scorzonera hispanica
- Sebastes alutus
- Sebastes viviparus
- Sebertia acuminata
- Secale cereale
- Sechium edule
- Sesamum indicum
- Siluriformes
- Sinapis alba
- Solanum lycopersicum
- Solanum melongena
- Solanum tuberosum
- Sorghum bicolor
- Spinacia oleracea
- Spondias mombin
- Squalus acanthias
- Strombidae
- Struthio camelus
- Sus scrofa
- Sus scrofa domestica
- Tamarindus indica
- Taraxacum officinale
- Thamnophis butleri
- Theobroma cacao
- Thunnus
- Thunnus albacares
- Trisopterus esmarkii
- Triticum
- Triticum aestivum
- Triticum durum
- Vaccinium
- Vaccinium corymbosum
- Vaccinium macrocarpon
- Vaccinium myrtillus
- Vaccinium vitis-idaea
- Vanilla
- Vicia faba
- Vigna angularis
- Vigna mungo
- Vigna radiata
- Vigna unguiculata ssp. unguiculata
- Vitis
- Vitis vinifera
- Vitis vinifera L.
- Zea mays L.
- Zingiber officinale
- Zizania
- (show allshow less)
| | C4H8O2
88.1051 Da 88.05243 Da | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | 13C NMR Spectrum (1D, 400 MHz, H2O, experimental) | 1H NMR Spectrum (1D, 90 MHz, CDCl3, experimental) | 13C NMR Spectrum (1D, 15 MHz, CDCl3, experimental) | 1H NMR Spectrum (1D, D2O, experimental) | 13C NMR Spectrum (1D, D2O, experimental) | 1H NMR Spectrum (1D, 700 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 700 MHz, H2O, experimental) | [1H, 13C] NMR Spectrum (2D, 600 MHz, H2O, experimental) |
|
NP0269601 | dioxane | - Opuntia ficus-indica
- Zingiber mioga
| | C4H8O2
88.1051 Da 88.05243 Da | |
NP0000932 141-78-6 | Ethyl acetate | - Acca sellowiana
- Actinidia chinensis
- Agaricus bisporus
- Amorphophallus haematospadix
- Ananas comosus
- Angelica gigas
- Aster scaber
- Averrhoa carambola
- Basella alba
- Brassica oleracea var. italica
- Cannabis sativa
- Capsicum annuum
- Carica papaya L.
- Carthamus tinctorius
- Chamaemelum nobile
- Cinnamomum burmanni
- Citrus X sinensis (L.) Osbeck (pro. sp.)
- Citrus limonia
- Citrus sinensis
- Citrus sinensis L.
- Coffea arabica
- Coffea arabica L.
- Croton lechleri Mull.Arg.
- Cucumis melo
- Cucumis sativus L.
- Dendrobium superbum
- Escherichia coli
- Exospermum stipitatum
- Ficus carica
- Fusarium poae
- Gossypium hirsutum
- Helianthus annuus
- Helianthus annuus L.
- Helicobacter pylori
- Litsea cubeba
- Malus pumila
- Mangifera indica
- Musa paradisiaca
- Olea europaea
- Opuntia ficus-indica
- Peristeria elata
- Plectranthus glabratus
- Plumeria rubra
- Polygala senega
- Prunus avium
- Prunus persica
- Psidium guajava
- Pyrus communis
- Pyrus pyrifolia
- Rhizophora mangle
- Ribes nigrum
- Rubus idaeus
- Rubus spp.
- Rumex thyrsiflorus
- Sergia lucens
- Sida galheirensis
- Spondias mombin
- Swertia japonica
- Theobroma cacao
- Tricholoma matsutake
- Vaccinium angustifolium
- Vaccinium corymbosum
- Vaccinium macrocarpon
- Vasconcellea x heilbornii
- Vitis rotundifolia
- Vitis vinifera
- Wickerhamomyces anomalus
- Zea mays
- Zea mays L.
- Zingiber mioga
- Zingiber officinale
- Zygogynum spp.
- (show allshow less)
| | C4H8O2
88.1051 Da 88.05243 Da | 1H NMR Spectrum (1D, 90 MHz, CDCl3, experimental) | 13C NMR Spectrum (1D, 15 MHz, CDCl3, experimental) | 1H NMR Spectrum (1D, 700 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 700 MHz, H2O, experimental) |
|
NP0296180 | 4-hydroxy-2-butanone | | | C4H8O2
88.1051 Da 88.05243 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) |
|
NP0000723 513-86-0 | Acetoin | - Allium ampeloprasum
- Allium cepa
- Allium fistulosum
- Aloe arborescens
- Camellia sinensis
- Capsicum annuum
- Cocos nucifera
- Coffea arabica
- Coffea arabica L.
- Coffea canephora
- Corynebacterium glutamicum
- Daphne odora
- Daucus carota ssp. sativus
- Ficus carica
- Glycine max
- Glycyrrhiza glabra
- Helianthus annuus
- Helianthus annuus L.
- Litchi chinensis
- Litsea cubeba
- Malpighia emarginata
- Mentha spicata
- Plumeria rubra
- Prunus persica
- Rubus idaeus
- Sergia lucens
- Streptomyces avermitilis
- Streptomyces virginiae
- Theobroma cacao
- Trifolium pratense
- Vaccinium myrtillus
- Vigna radiata
- Vitis vinifera
- Zea mays L.
- (show allshow less)
| | C4H8O2
88.1051 Da 88.05243 Da | 1H NMR Spectrum (1D, 600 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 700 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 700 MHz, H2O, experimental) | 1H NMR Spectrum (1D, 600 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | 1H NMR Spectrum (1D, 600 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) |
|
NP0000989 79-31-2 | Isobutyric acid | - Actinidia chinensis
- Anas platyrhynchos
- Anatidae
- Anser anser
- Apium graveolens
- Apium graveolens var. dulce
- Arctium lappa
- Arnica montana
- Bison bison
- Blattella germanica
- Bos taurus X Bison bison
- Bos taurus
- Bubalus bubalis
- Capra aegagrus hircus
- Capsicum annuum
- Capsicum annuum var. annuum
- Centipeda minima
- Ceratonia siliqua
- Cervidae
- Cervus canadensis
- Coffea arabica
- Coffea arabica L.
- Columba
- Columbidae
- Daphnia magna
- Daucus carota
- Daucus carota ssp. sativus
- Dromaius novaehollandiae
- Equus caballus
- Gallus gallus
- Glycyrrhiza glabra
- Heracleum persicum
- Lagopus muta
- Lates calcarifer
- Laurus nobilis L.
- Lavandula angustifolia
- Leporidae
- Lepus timidus
- Lithospermum erythrorhizon
- Melanitta fusca
- Meleagris gallopavo
- Mentha x piperita
- Morus alba
- Myrtus communis
- Numida meleagris
- Odocoileus
- Oryctolagus
- Ovis aries
- Pelargonium graveolens
- Phasianidae
- Phasianus colchicus
- Polygala senega
- Prunus armeniaca
- Rubus idaeus
- Scarites subterraneus
- Solanum pennellii
- Struthio camelus
- Sus scrofa
- Sus scrofa domestica
- Thamnophis butleri
- (show allshow less)
| | C4H8O2
88.1051 Da 88.05243 Da | 1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) | 1H NMR Spectrum (1D, 700 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 700 MHz, H2O, experimental) | 1H NMR Spectrum (1D, 700 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 700 MHz, H2O, experimental) | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) |
|
NP0287401 | (r)-acetoin | - Corynebacterium glutamicum
- Streptomyces avermitilis
| | C4H8O2
88.1051 Da 88.05243 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) |
|
NP0047268 5077-67-8 | 1-Hydroxy-2-butanone | - Agaricus bisporus
- Coffea arabica L.
- Coffea canephora
- Glycyrrhiza glabra
- Pleurotus ostreatus
| | C4H8O2
88.1051 Da 88.05243 Da | Not Available |
NP0084308 | Oxamide | | | C2H4N2O2
88.0654 Da 88.02728 Da | Not Available |