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Displaying natural products 280301 - 280325 of 281385 in total
NP-MRD ID
CAS Number		Compound Name Species of OriginChemical StructureChemical Formula
Average Mass
Monoisotopic Mass 		NMR Spectra
NP0023958
Proline
  • Abelmoschus esculentus
  • Abramis brama
  • Acacia pennatula
  • Acer pictum subsp. Mono
  • Achillea collina
  • Acipenser
  • Acipenseridae
  • Actinidia chinensis
  • Agave
  • Aglaia rubiginosa
  • Agnorhiza invenusta
  • Allium ampeloprasum
  • Allium ascalonicum
  • Allium cepa
  • Allium fistulosum
  • Allium sativum
  • Allium schoenoprasum
  • Allium tuberosum
  • Alosa sapidissima
  • Amaranthus
  • Ananas comosus
  • Anarhichas lupus
  • Anastatica hierochuntica
  • Anatidae
  • Anethum graveolens
  • Anguilla
  • Anguilliformes
  • Annona ambotay
  • Annona cherimola
  • Anoplopoma fimbria
  • Anthemis auriculata
  • Antirrhinum majus
  • Apium graveolens
  • Apium graveolens var. dulce
  • Aplodinotus grunniens
  • Arabidopsis thaliana
  • Arachis hypogaea
  • Archosargus probatocephalus
  • Arctium lappa
  • Argemone mexicana
  • Artemisia vulgaris
  • Artemisia xanthochroa
  • Artocarpus heterophyllus
  • Asparagus officinalis
  • Astacidea
  • Astragalus falcatus
  • Avena sativa L.
  • Averrhoa carambola
  • Baccharis genistelloides
  • Baccharis reticularia
  • Balanophora harlandii
  • Bauhinia purpurea
  • Beta vulgaris
  • Bison bison
  • Brachyura
  • Brassica oleracea
  • Brassica oleracea var. botrytis
  • Brassica oleracea var. capitata
  • Brassica oleracea var. italica
  • Brassica oleracea var. sabauda
  • Brassica rapa
  • Brassica rapa ssp. chinensis
  • Brassica rapa var. rapa
  • Brickellia vernicosa
  • Brosimum alicastrum
  • Brosme brosme
  • Brucea javanica
  • Bubalus bubalis
  • Buccinidae
  • Buddleja parviflora
  • Caenorhabditis elegans
  • Cajanus cajan
  • Calicotome villosa
  • Callinectes sapidus
  • Canarium ovatum
  • Cancer magister
  • Carica papaya L.
  • Carya
  • Carya illinoinensis
  • Castanea
  • Castanea crenata
  • Castanea mollissima
  • Castanea sativa
  • Catostomus commersonii
  • Cervidae
  • Cervus canadensis
  • Chanos chanos
  • Chenopodium album
  • Chenopodium quinoa
  • Chrysanthemum indicum
  • Chrysanthemum morifolium
  • Chrysanthemum zawadskii
  • Chrysothamnus viscidiflorus
  • Cicer arietinum
  • Cichlidae
  • Cichorium endivia
  • Cinnamomum
  • Citrullus lanatus
  • Citrus X sinensis (L.) Osbeck (pro. sp.)
  • Citrus paradisi
  • Citrus reticulata
  • Claviceps purpurea
  • Clupea harengus harengus
  • Clupea pallasii
  • Cocos nucifera
  • Colchicum trigynum
  • Colocasia esculenta
  • Columba
  • Columbidae
  • Corchorus olitorius
  • Coregonus
  • Coregonus artedi
  • Corylus
  • Corylus avellana
  • Cota altissima
  • Cota palaestina
  • Crassostrea gigas
  • Crassostrea virginica
  • Croton steenkampianus
  • Cucumis sativus L.
  • Cucurbita maxima
  • Cucurbita moschata
  • Curcuma longa
  • Cyclopia intermedia
  • Cyprinus carpio
  • Dalbergia melanoxylon
  • Dalbergia parviflora
  • Daphnia magna
  • Daucus carota
  • Daucus carota ssp. sativus
  • Dimocarpus longan
  • Dioscorea
  • Dioscorea pentaphylla
  • Diospyros
  • Diospyros kaki
  • Diospyros virginiana
  • Dracocephalum tanguticum
  • Dromaius novaehollandiae
  • Elaeis
  • Engraulidae
  • Engraulis encrasicolus
  • Epinephelus
  • Equus caballus
  • Eragrostis tef
  • Eriobotrya japonica
  • Esox lucius
  • Euphorbia tithymaloides
  • Fagopyrum esculentum
  • Fagus
  • Feijoa sellowiana
  • Ficus carica
  • Gadiformes
  • Gadus
  • Gadus macrocephalus
  • Gadus morhua
  • Garcinia conrauana
  • Genista corsica
  • Ginkgo biloba
  • Glycine max
  • Gossypium
  • Grifola frondosa
  • Hippoglossus
  • Hippoglossus hippoglossus
  • Hippoglossus stenolepis
  • Homarus americanus
  • Hoplostethus atlanticus
  • Hordeum vulgare
  • Ictalurus punctatus
  • Ipomoea batatas
  • Juglans
  • Juglans cinerea
  • Juglans nigra L.
  • Juglans regia
  • Katsuwonus pelamis
  • Lablab purpureus
  • Lactuca sativa
  • Laminaria
  • Larix gmelini
  • Lates calcarifer
  • Lawsonia inermis
  • Leiostomus xanthurus
  • Lens culinaris
  • Lentinus edodes
  • Lepomis gibbosus
  • Leporidae
  • Limonium aureum
  • Limonium sinense
  • Linum usitatissimum
  • Lophius piscatorius
  • Lopholatilus chamaeleonticeps
  • Lota lota
  • Lunaria annua
  • Lupinus
  • Lupinus albus
  • Lutjanidae
  • Macadamia
  • Macadamia tetraphylla
  • Malus pumila
  • Mangifera indica
  • Manihot esculenta
  • Manilkara zapota
  • Medicago sativa
  • Meleagris gallopavo
  • Mentha spicata
  • Mentha x piperita
  • Merlangius merlangus
  • Micropogonias undulatus
  • Microstomus kitt
  • Millettia duchesnei
  • Molva molva
  • Morone saxatilis
  • Mugil cephalus
  • Musa acuminata
  • Mytilidae
  • Mytilus edulis
  • Nelumbo
  • Nephropidae
  • Numida meleagris
  • Ocimum basilicum
  • Octopus vulgaris
  • Oncorhynchus gorbuscha
  • Oncorhynchus keta
  • Oncorhynchus kisutch
  • Oncorhynchus mykiss
  • Oncorhynchus nerka
  • Oncorhynchus tshawytscha
  • Ophiodon elongatus
  • Opuntia cochenillifera
  • Origanum X majoricum
  • Origanum dictamnus
  • Origanum vulgare
  • Oryctolagus
  • Oryza rufipogon
  • Osmerus mordax
  • Pachyrhizus erosus
  • Palinuridae
  • Panax ginseng
  • Panicum miliaceum
  • Paralithodes camtschaticus
  • Paris fargesii
  • Patrinia rupestris
  • Pectinidae
  • Peprilus triacanthus
  • Percoidei
  • Persea americana
  • Petroselinum crispum
  • Peucephyllum schottii
  • Phaseolus lunatus
  • Phasianidae
  • Phasianus colchicus
  • Phlomis nissolii
  • Phoenix dactylifera
  • Phyllanthus emblica
  • Phyllostachys edulis
  • Pinus
  • Pinus edulis
  • Pinus sibirica
  • Piper nigrum L.
  • Pistacia vera
  • Pleuronectiformes
  • Pleurotus ostreatus
  • Pogostemon stellatus
  • Pollachius
  • Pollachius pollachius
  • Pomatomus saltatrix
  • Populus tremula
  • Pouteria sapota
  • Prunus armeniaca
  • Prunus campanulata
  • Prunus dulcis
  • Prunus nipponica
  • Prunus persica
  • Prunus persica var. nucipersica
  • Prunus persica var. persica
  • Pseudo-nitzschia multistriata
  • Psidium cattleianum
  • Psidium guajava
  • Psophocarpus tetragonolobus
  • Psorothamnus polydenius
  • Pyrus communis
  • Pyrus pyrifolia
  • Quercus
  • Raphanus sativus
  • Raphanus sativus var. longipinnatus
  • Reinhardtius hippoglossoides
  • Rhamnus disperma
  • Rhamnus pallasii
  • Rhodiola sachalinensis
  • Ribes uva-crispa
  • Rumex
  • Salmo salar
  • Salmo trutta forma trutta
  • Salvia hispanica
  • Salvia rosmarinus
  • Sarcophyte sanguinea
  • Scomberomorus cavalla
  • Scomberomorus maculatus
  • Scophthalmus maximus
  • Scutellaria baicalensis
  • Sebastes
  • Sebastes alutus
  • Secale cereale
  • Sechium edule
  • Selaginella labordei
  • Sepiidae
  • Seriola lalandi
  • Sesamum indicum
  • Siluriformes
  • Smilax corbularia
  • Solanum hindsianum
  • Solanum melongena
  • Soleidae
  • Sorghum bicolor
  • Spatholobus suberectus
  • Spinacia oleracea
  • Spirulina
  • Squaliformes
  • Stellaria media
  • Stenodus leucichthys
  • Stenotomus chrysops
  • Struthio camelus
  • Sus scrofa
  • Synechococcus elongatus
  • Syzygium aromaticum
  • Teuthida
  • Thunnus albacares
  • Thunnus thynnus
  • Thymus vulgaris
  • Trachinotus carolinus
  • Trachurus symmetricus
  • Trigonella foenum-graecum
  • Trisopterus esmarkii
  • Triticum spelta
  • Triticum turanicum
  • Undaria pinnatifida
  • Vigna radiata
  • Vigna unguiculata ssp. cylindrica
  • Vigna unguiculata ssp. unguiculata
  • Virola surinamensis
  • Viscum coloratum
  • Vitis
  • Wyethia angustifolia
  • Wyethia glabra
  • Xiphias gladius
  • Zea mays L.
  • Zingiber officinale
  • Zizania
  • Zoarces americanus
  • (show allshow less)
ThumbC5H9NO2

115.1305 Da
115.06333 Da		Not Available
NP0137015
Pterolactam
  • Cucubalus baccifer
  • Joannesia princeps
ThumbC5H9NO2

115.1305 Da
115.06333 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)
NP0248970
(2s)-3,3-dimethylaziridine-2-carboxylic acid
  • Pleurocybella porrigens
ThumbC5H9NO2

115.1320 Da
115.06333 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)
NP0246473
(5r)-5-methoxy-4,5-dihydro-3h-pyrrol-2-ol
  • Joannesia princeps
ThumbC5H9NO2

115.1320 Da
115.06333 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)
NP0245219
(3r)-3-hydroxy-1-methylpyrrolidin-2-one
  • Cistanche tubulosa
ThumbC5H9NO2

115.1320 Da
115.06333 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)
NP0175314
3,3-dimethylaziridine-2-carboxylic acid
  • Pleurocybella porrigens
ThumbC5H9NO2

115.1320 Da
115.06333 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)
NP0241503
(prop-2-en-1-ylamino)acetic acid
  • Amanita abrupta
ThumbC5H9NO2

115.1320 Da
115.06333 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)
NP0198749
3-hydroxy-1-methylpyrrolidin-2-one
  • Cistanche tubulosa
ThumbC5H9NO2

115.1320 Da
115.06333 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)
NP0046376
D-2-Butylisothiocyanate
  • Armoracia rusticana
ThumbC5H9NS

115.1900 Da
115.04557 Da		Not Available
NP0046431
4-(Methylthio)-butanonitrile
  • Brassica oleracea
  • Brassica oleracea var. gongylodes
ThumbC5H9NS

115.1900 Da
115.04557 Da		Not Available
NP0316760
(2s)-2-isothiocyanatobutane
  • Cardamine amara
  • Cochlearia officinalis
ThumbC5H9NS

115.1900 Da
115.04557 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)
NP0047374
4426-79-3
2-Butylisothiocyanate
  • Armoracia rusticana
  • Brassica juncea
  • Brassica oleracea var. capitata
  • Brassica oleracea var. gemmifera
  • Brassica oleracea var. italica
  • Brassica rapa
  • Cardamine amara
  • Cochlearia officinalis
  • Eutrema japonicum
  • (show allshow less)
ThumbC5H9NS

115.1970 Da
115.04557 Da		Not Available
NP0047391
591-82-2
Isobutyl isothiocyanate
  • Allium sativum
  • Brassica oleracea var. botrytis
ThumbC5H9NS

115.1970 Da
115.04557 Da		Not Available
NP0046149
592-82-5
1-Isothiocyanatobutane
  • Armoracia rusticana
  • Brassica carinata
  • Brassica oleracea var. botrytis
  • Capparis spinosa
  • Eutrema japonicum
ThumbC5H9NS

115.1970 Da
115.04557 Da		Not Available
NP0002746
Maleamic acid
  • Pogostemon cablin
  • Triticum aestivum
  • Trypanosoma brucei
ThumbC4H5NO3

115.0874 Da
115.02694 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, 600.133705802, 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)
NP0188418
(3r)-3-methylheptane
  • Tuber borchii
ThumbC8H18

114.2320 Da
114.14085 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)
NP0045094
565-75-3
2,3,4-Trimethylpentane
  • Cannabis sativa
ThumbC8H18

114.2285 Da
114.14085 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)
NP0001254
111-65-9
Octane
  • Ageratum conyzoides
  • Anas platyrhynchos
  • Anatidae
  • Angelica pubescens f.biserrata
  • Anser anser
  • Apium graveolens var. dulce
  • Apium graveolens var. rapaceum
  • Aster scaber
  • Bison bison
  • Bos taurus X Bison bison
  • Bos taurus
  • Brassica oleracea var. botrytis
  • Bubalus bubalis
  • Capra aegagrus hircus
  • Capsicum annuum
  • Castanopsis cuspidata
  • Cervidae
  • Cervus canadensis
  • Columba
  • Columbidae
  • Dromaius novaehollandiae
  • Elaeis guineensis
  • Equus caballus
  • Gallus gallus
  • Garcinia mangostana
  • Giraffa camelopardalis
  • Hamamelis virginiana
  • Hypericum perforatum
  • Lagopus muta
  • Leporidae
  • Lepus timidus
  • Manilkara zapota
  • Melanitta fusca
  • Meleagris gallopavo
  • Nepeta racemosa
  • Numida meleagris
  • Odocoileus
  • Oenanthe aquatica
  • Olea europaea
  • Oryctolagus
  • Ovis aries
  • Persea americana
  • Phasianidae
  • Phasianus colchicus
  • Plantago lanceolata
  • Psidium guajava
  • Solanum lycopersicum Mill.
  • Stellera chamaejasme
  • Struthio camelus
  • Sus scrofa
  • Sus scrofa domestica
  • Tanacetum longifolium
  • Thymus longicaulis
  • Vetiveria zizanioides
  • Zea mays L.
  • Zingiber officinale
  • (show allshow less)
ThumbC8H18

114.2285 Da
114.14085 Da
1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
NP0293793
4-methyl-3-methylidenepentan-1-ol
  • Hypoxylon hinnuleum
ThumbC7H14O

114.1880 Da
114.10447 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)
NP0320916
(4r)-4-methylhexan-3-one
  • Oreotragus oreotragus
ThumbC7H14O

114.1880 Da
114.10447 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)
NP0304996
4-methylcyclohexanol
  • Cedronella canariensis
ThumbC7H14O

114.1880 Da
114.10447 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)
NP0274403
4-methyl-3-hexanone
  • Oreotragus oreotragus
ThumbC7H14O

114.1880 Da
114.10447 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)
NP0083914
Cyclohexanemethanol
  • Cinnamomum camphora
ThumbC7H14O

114.1880 Da
114.10447 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)
NP0253925
3-methylcyclohexanol (trans)
  • Vaccinium macrocarpon
ThumbC7H14O

114.1880 Da
114.10447 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)
NP0238732
(4e)-hept-4-en-2-ol
  • Zea mays
ThumbC7H14O

114.1880 Da
114.10447 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)
Displaying natural products 280301 - 280325 of 281385 in total