NP-MRD: Browsing natural products

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Displaying natural products 1 - 25 of 40908 in total

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

NP0000001

57-24-9

Strychnine

Strychnos atlantica
Strychnos cinnamomifolia
Strychnos columbrina
Strychnos ignatii
Strychnos ligustrina
Strychnos lucida R.Br.
Strychnos nitida
Strychnos nux-vomica
Strychnos nux-vomica L.
Strychnos spinosa
Strychnos tieute
Strychnos triplinervia
(show all show less)

C₂₁H₂₂N₂O₂

334.4116 Da
334.16813 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 50 MHz, CDCl₃, experimental)

NP0000004

486-56-6

Cotinine

Nicotiana tabacum (L.)

C₁₀H₁₂N₂O

176.2151 Da
176.09496 Da

¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, H₂O, experimental)

NP0000005

91-64-5

Coumarin

Amburana cearensis
Artemisia annua
Asparagus officinalis
Cinnamomum burmannii Nees ex BI
Cinnamomum cassia
Cinnamomum loureirii
Dalea tuberculata
Daucus carota
Dipteryx odorata
Dipteryx punctata
Eupatorium odoratum
Ficus simplicissima
Ginkgo biloba
Hydrocotyle sibthorpioides
Hypericum japonicum
Impatiens siculifer
Liatris squarrosa
Picea abies
Scabiosa comosa
Tetrapanax papyriferus
Verbascum thapsus
(show all show less)

C₉H₆O₂

146.1450 Da
146.03678 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 15 MHz, CDCl₃, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl₃, experimental)

NP0000006

13078-04-1

Anabasine

Alangium chinense
Alangium chinense var.pauciflorum.
Alangium kurzii
Alangium platanifolium
Alangium salviifolium
Anabasis aphylla
Cyphanthera spinescens
Duboisia myoporoides
Leontice albertii
Lupinus formosus
Nicotiana acaulis
Nicotiana acuminata
Nicotiana africana
Nicotiana alata
Nicotiana ameghinoi
Nicotiana amplexicaulis
Nicotiana arentsii
Nicotiana attenuata
Nicotiana benavidesii
Nicotiana benthamiana
Nicotiana bigelovii
Nicotiana bonariensis
Nicotiana cavicola
Nicotiana clevelandii
Nicotiana cordifolia
Nicotiana corymbosa
Nicotiana debneyi
Nicotiana excelsior
Nicotiana exigua
Nicotiana forgetiana
Nicotiana fragrans
Nicotiana glauca
Nicotiana glutinosa
Nicotiana goodspeedii
Nicotiana gossei
Nicotiana hesperis
Nicotiana ingulba
Nicotiana kawakamii
Nicotiana knightiana
Nicotiana langsdorffii
Nicotiana linearis
Nicotiana longibracteata
Nicotiana longiflora
Nicotiana maritima
Nicotiana megalosiphon
Nicotiana miersii
Nicotiana nesophila
Nicotiana noctiflora
Nicotiana nudicaulis
Nicotiana occidentalis
Nicotiana otophora
Nicotiana paniculata
Nicotiana pauciflora
Nicotiana petunioides
Nicotiana plumbaginifolia
Nicotiana raimondii
Nicotiana repanda
Nicotiana rosulata
Nicotiana rotundifolia
Nicotiana rustica
Nicotiana setchellii
Nicotiana simulans
Nicotiana solanifolia
Nicotiana spegazzinii
Nicotiana stocktonii
Nicotiana suaveolens
Nicotiana sylvestris
Nicotiana tabacum (L.)
Nicotiana thyrosiflora
Nicotiana tobacum
Nicotiana tomentosa
Nicotiana tomentosiformis
Nicotiana trigonophylla
Nicotiana undulata
Nicotiana velutina
Nicotiana wigandioides
Priestleya tomentosa
Spartidium saharae
Verbascum songoricum
Zinnia elegans
(show all show less)

C₁₀H₁₄N₂

162.2316 Da
162.11570 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD₃OD, experimental)

NP0000007

514-78-3

Canthaxanthin

Anabaena flos-aquae
Arabidopsis thaliana
Corbicula japonica
Corbicula sandai
Solanum tuberosum

C₄₀H₅₂O₂

564.8540 Da
564.39673 Da

¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)
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)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl₃, experimental)

NP0000008

2086-83-1

Berberine

Argemone mexicana
Argemone spp.
Argemone subfusiformia
Argemone subfusiformis var.subinermis
Asteropyrum cavaleriei
Berberis aemulans
Berberis aquifolium
Berberis aristata
Berberis brandisiana
Berberis candidula
Berberis croatica
Berberis darwinii
Berberis densiflora
Berberis diaphana
Berberis dubia
Berberis heterobotrys
Berberis iliensis
Berberis integerrima
Berberis julianae
Berberis nervosa
Berberis numularis
Berberis oblonga
Berberis poirettii
Berberis potaninii
Berberis pruinosa
Berberis pseudanubalata
Berberis rigidifolia
Berberis spp.
Berberis stenophylla
Berberis thunbergii
Berberis turcomanica
Berberis vulgaris
Berberis wilsonae
Berberis wilsoniae
Chelidonium majus L.
Chelidonium spp.
Coptis chinensis
Coptis deltoidea
Coptis deltoides
Coptis gulinensis
Coptis japonica
Coptis linearisepala
Coptis omeiensis
Coptis spp.
Coptis teetoides
Corydalis amunca
Corydalis intermedia
Corydalis ledebouriana
Corydalis longicalcarata
Corydalis ophiocarpa
Corydalis remota
Corydalis solida
Corydalis spp.
Corydalis yanhusuo
Coscinium fenestratum
Eschscholtzia california
Evodia mellifolia
Evodia spp.
Glaucium arabicum
Hydrastis canadensis
Macleaya cordata
Magnolia biondii
Mahonia aquifolium
Mahonia bealei
Mahonia bodinieri
Mahonia confusa
Mahonia eurybracteata
Mahonia fortunei
Mahonia gracilipes
Mahonia japonica
Mahonia spp.
Mahonia veitchiorum
Nandina domestica
Nandina spp.
Naravelia zeylandica
Papaver albiflora
Papaver bracteatum
Papaver confine
Papaver pinnatifidum
Papaver radicatum
Papaver rhoeas chelidonides
Papaver rhopalothece
Papaver somniferum
Phellodendron amurense
Phellodendron chinense
Phellodendron chinensis
Phellodendron lavallei
Phellodendron wilsonii
Ranunculus serbicus
Stephania cepharantha
Stephania tetrandra
Stylophorum lasiocarpum
Thalictrum atriplex
Thalictrum faberi
Thalictrum flavum
Thalictrum foetidum
Thalictrum foliolosum
Thalictrum foliosum
Thalictrum glandulosissimum
Thalictrum honanense
Thalictrum longipedunculatum
Thalictrum microgynum
Thalictrum minus
Thalictrum orientale
Thalictrum petaloidum
Thalictrum przewalskii
Thalictrum purpurescens
Thalictrum simplex
Thalictrum spp.
Thalictrum symplex
Thalictrum thunbergii
Thalictrum wanqii
Toddalia aculeata Pers.
Toddalia spp.
Xanthorhiza simplicissima
Zanthoxylum spp.
Ziziphus jujuba
(show all show less)

C₂₀H₁₈NO₄

336.3612 Da
336.12358 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD₃OD, experimental)

NP0000009

58-08-2

Caffeine

Camellia assamica
Camellia irawadiensis
Camellia kissi
Camellia sinensis
Camellia sinensis var. sinensis
Camellia taliensis
Camellia thea
Camellia toliensis
Carica papaya
Citrus limon
Citrus maxima
Citrus paradisi
Coffea arabica
Coffea canephora
Coffea dewevrei
Coffea eugeniodes
Coffea eugenioides
Coffea excelsa
Coffea kianjavatensis
Coffea liberica
Coffea racemosa
Coffea salvatrix
Coffea spp
Coffea spp.
Cola acuminata
Cola sp.
Cola spp.
Firmiana simplex
Ilex cornuta
Ilex paraguariensis
Ilex paraguayensis
Paullinia cupana
Paullinia trifoliata
Scurrula atropurpurea
Thea siensis
Theobroma cacao
Theobroma grandiflorum
(show all show less)

C₈H₁₀N₄O₂

194.1906 Da
194.08038 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹H NMR Spectrum (1D, 90 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 25 MHz, CDCl₃, experimental)
[¹H, ¹H] 2D NMR Spectrum (experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl₃, experimental)

NP0000012

97-59-6

Allantoin

Acanthopanax giraldii
Allium tuberosum Rottl.ex Spreng.
Arabidopsis thaliana
Aristolochia heterophylla Hemsl
Aristolochia pubescens
Auxemma oncocalyx
Glycine max
Rhinacanthus nasutus
Robinia pseudoacacia
Tournefortia sarmentosa
Vaccaria segetalis
(show all show less)

C₄H₆N₄O₃

158.1154 Da
158.04399 Da

¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)
¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)
¹H NMR Spectrum (1D, D₂O, experimental)
¹³C NMR Spectrum (1D, D₂O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, H₂O, experimental)

NP0000013

121-34-6

Vanillic acid

Acer nikoense
Ailanthus integrifolia
Ajuga taiwanensis
Allium sativum
Alnus japonica
Amburana cearensis
Amphibolis antarctica
Amphibolis griffithii
Arabidopsis thaliana
Aristolochia manshuriensis
Aristolochia pubescens
Begonia nantoensis
Callicarpa integerrima
Carica papaya
Casearia membranacea
Catharanthus roseus
Ceratostigma willmottianum
Cichorium intybus
Cinnamomum philippinense
Cinnamomum subavenium MIQ.
Citrus sudachi
Cleidion spiciflorum (Burm. f.) Merr.
Colubrina faralaotra subsp.trichocarpa.
Crocus sativus
Curcuma domestica
Cymodocea rotundata
Cymodocea serrulata
Cyperus rotundus L.
Derris scandens
Dicliptera riparia
Dipsacus asper
Elaeagnus pungens
Engelhardia roxburghiana
Ephedra equisetina
Erica australis
Eriocaulon buergerianum
Fagara spp.
Fagara tessmannii Engl.
Falcaria vulgaris
Ficus septica
Glehnia littoralis
Gomphrena celosioides
Gossypium mexicanum
Grindelia aphanactis
Gymnadenia conopsea R.BR.
Halodule uninervis
Halodule wrightii
Halophila engelmannii
Halophila hawaiiana
Hibiscus taiwanensis
Humulus lupulus
Hydrangea chinensis
Hyoscyamus niger
Leptolaena diospyroidea
Leptolaena pauciflora
Magnolia denudata
Magnolia liliiflora
Mangifera indica
Matricaria chamomilla
Medicago sativa
Melia azedarach
Melilotus messanensis
Microtropis fokienensis
Microtropis japonica
Notopterygium incisum
Opuntia dillenii
Oryza sativa cv. Heugjinjubyeo
Oxalis corniculata
Paeonia hybrida
Panax ginseng
Paratecoma koraiensis
Pelargonium reniforme
Peperomia duclouxii C. DC.
Peperomia sui
Phellodendron amurense var.wilsonii
Phellodendron japonicum MAXIM
Phyllospadix scouleri
Phyllospadix serrulatus
Picea ajanensis
Picea obovata
Picrorhiza kurrooa
Picrorhiza kurrosa
Pinus sibirica
Plantago lanceolata
Plantago major
Plantago media
Polytrichum commune
Populus pseudosimonii
Posidonia australis
Posidonia oceanica
Prunus avium
Pseudolarix kaempferi Gord.
Pterocarpus santalinus
Punica granatum
Ranunculus baudotii
Rhaponticum carthamoides
Rosa canina
Rubia yunnanensis
Salvia officinalis
Solanum tuberosum
Sparganium stoloniferum
Spiraea formosana
Syringodium filiforme
Syringodium isoetifolium
Taraxacum formosanum
Taxus baccata
Tetracentron sinense
Thalassia hemprichii
Thalassia testudinum
Thalassodendron ciliatum
Toona ciliata
Trachelospermum asiaticum
Trichosanthes kirilowii
Triticum aestivum
Tupistra chinensis
Veronica peregrina L.
Viscum coloratum
Vittaria anguste-elongata
Zanthoxylum simulans
Zea mays L.
Zostera marina
(show all show less)

C₈H₈O₄

168.1480 Da
168.04226 Da

¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)
¹H NMR Spectrum (1D, DMSO, experimental)
¹³C NMR Spectrum (1D, DMSO, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, H₂O, experimental)

NP0000014

99-20-7

Trehalose

Arabidopsis thaliana
Averrhoa carambola
Bacteria
Brassica oleracea L. ssp. Botrytis
Curcuma domestica
Fungi
Metazoa
Prunus avium
Solanum lycopersicum L.
Sorghum vulgare
Sporobolus stapfianus
(show all show less)

C₁₂H₂₂O₁₁

342.2965 Da
342.11621 Da

¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)
¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)
¹H NMR Spectrum (1D, D₂O, experimental)
[¹H, ¹H] 2D NMR Spectrum (experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, H₂O, experimental)

NP0000015

97-65-4

Itaconic acid

Sebertia acuminata
Solanum tuberosum
Triticum aestivum
Vicia faba

C₅H₆O₄

130.0987 Da
130.02661 Da

¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)
¹H NMR Spectrum (1D, 90 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 25 MHz, D₂O, experimental)
¹H NMR Spectrum (1D, D₂O, experimental)
¹³C NMR Spectrum (1D, D₂O, experimental)
[¹H, ¹H] 2D NMR Spectrum (experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, H₂O, experimental)

NP0000016

1114-41-6

Muramic acid

Eubacteria

C₉H₁₇NO₇

251.2338 Da
251.10050 Da

¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, H₂O, experimental)

NP0000017

490-79-9

Gentisic acid

Citrus cultivars
Citrus limonia
Citrus spp.
Cymodocea rotundata
Cymodocea serrulata
Eucalyptus grandis
Foeniculum vulgare
Gentiana spp.
Halodule uninervis
Halodule wrightii
Halophila hawaiiana
Helianthus tuberosus
Leptolaena diospyroidea
Leptolaena pauciflora
Olea europaea
Phyllospadix scouleri
Phyllospadix serrulatus
Plantago major
Posidonia oceanica
Prunus avium
Pterocarpus santalinus
Raphanus sativus
Rhamnus disperma
Rhaponticum carthamoides
Sesamum indicum
Syringodium filiforme
Syringodium isoetifolium
Taxus baccata
Thalassia hemprichii
Thalassia testudinum
Thalassodendron ciliatum
Vitis vinifera
Zostera capricorni
Zostera marina
(show all show less)

C₇H₆O₄

154.1210 Da
154.02661 Da

¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)
¹H NMR Spectrum (1D, 90 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 25 MHz, D₂O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, H₂O, experimental)

NP0000018

535-83-1

Trigonelline

Abrus precatorius
Achillea millefolium
Aeschyomene indica
Astragalus sinicus
Astragalus wootonii
Bauhinia candicans
Bauhinia forficata
Benincasa hispida
Canavalia ensiformis
Cannabis sativa
Carica papaya
Castanea sativa
Cicer arietinum
Coffea spp.
Cucurbita moschata
Desmodium triflorum
Dictamnus dasycarpus
Glycine max
Gnetum parvifolium
Hibiscus rosa-sinensis L
Hibiscus sabdariffa L.
Lablab purpureus
Macroptilium atropurpureum
Medicago sativa
Melilotus officinalis
Mirabilis jalapa
Phaseolus vulgaris
Pinellia ternata
Pisum sativum
Quisqualis indica
Retama raetam
Solanum lycopersicum
Solanum melongena
Strophanthus spp.
Trifolium pratense
Trigonella foenum-graceum
Trigonella foenum-graecum
Vigna unguiculata
(show all show less)

C₇H₇NO₂

137.1360 Da
137.04768 Da

¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)
¹H NMR Spectrum (1D, 400 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 25 MHz, D₂O, experimental)
[¹H, ¹H] 2D NMR Spectrum (experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, H₂O, experimental)

NP0000019

100-09-4

p-Anisic acid

Annona purpurea
Croton draco Schltdl.& Cham.
Malva silvestris
Neolitsea acuminatissima
Nymphaea caerulea
Palicourea coriacea
Parthenium hysterophorus L.
Pimpinella anisum
Piper philippinum
Posidonia oceanica
Tabebuia avellanedae
Taraxacum formosanum
Trianthema portulacastrum
(show all show less)

C₈H₈O₃

152.1473 Da
152.04734 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl₃, experimental)

NP0000020

59-02-9

alpha-Tocopherol

Aesculus hippocastanum Hort.
Amaranthus hypochondriacus L.
Arabidopsis thaliana
Arachis hypogaea
Avena sativa L.
Bixa orellana L.
Botryococcus braunii
Brassica oleracea var. italica
Calophyllum inophyllum L.
Carthamus tinctorius
Carum carvi L.
Cocos nucifera L.
Coriandrum sativum L.
Delphinium ajacis L.
Elaeis guineensis Jacq.
Feijoa sellowiana
Foeniculum vulgare L.
Gevuina avellana Mol.
Glycine max
Hevea brasiliensis Mull.Arg.
Hibiscus syriacus
Hippophae rhamnoides
Hordeum vulgare L.
Juglans regia L.
Litchi chinensis Sonn.
Lupinus albus
Lychnis coronaria
Machilus zuihoensis
Nicotiana tabacum L.
Oryza sativa L.
Pinus koraiensis
Rosmarinus officinalis L.
Schisandra chinensis
Sebertia acuminata
Secale cereale L.
Spinacia oleracea
Triticum aestivum
Uvaria pandensis
Vaccinium macrocarpon Aiton
Vitis vinifera L.
Zea mays L.
(show all show less)

C₂₉H₅₀O₂

430.7061 Da
430.38108 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 25 MHz, CDCl₃, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl₃, experimental)

NP0000021

112-86-7

Erucic acid

Calophyllum calaba
Calophyllum inophyllum
Luzuriaga parviflora
Tropaeolum majus

C₂₂H₄₂O₂

338.5677 Da
338.31848 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD₃OD, experimental)

NP0000022

530-57-4

Syringic acid

Plantae
Eubacteria

C₉H₁₀O₅

198.1740 Da
198.05282 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹H NMR Spectrum (1D, 90 MHz, DMSO-d6, experimental)
¹³C NMR Spectrum (1D, 23 MHz, DMSO-d6, experimental)
¹H NMR Spectrum (1D, DMSO, experimental)
¹³C NMR Spectrum (1D, DMSO, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, H₂O, experimental)

NP0000024

446-72-0

Genistein

Animalia
Plantae

C₁₅H₁₀O₅

270.2400 Da
270.05282 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, experimental)
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)
¹³C NMR Spectrum (1D, 150 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 600 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 50 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 250 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 175 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 75 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 225 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 125 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 25 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 300 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 900 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 700 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 400 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 500 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 1000 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 800 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD₃OD, experimental)

NP0000025

486-66-8

Daidzein

Acca sellowiana
Albizia procera
Aloe vera
Arabidopsis thaliana
Arachis hypogaea
Brassica oleracea
Bupleurum scorzonerifolium
Cajanus cajan
Cicer arietinum
Crotalaria assamica
Crotalaria pallida
Dalbergia ecastaphyllum
Dalbergia odorifera
Dalbergia stevensonii
Derris oblonga
Erycibe expansa
Erythrina crista-galli
Erythrina indica
Erythrina latissima
Erythrina orientalis
Erythroxylum ulei
Euchresta formosana
Genista corsica
Genista tinctoria
Glycine max
Glycyrrhiza glabra
Glycyrrhiza inflata
Glycyrrhiza uralensis
Lespedeza bicolor
Maackia amurensis
Medicago arabica
Medicago sativa
Medicago truncatula
Pericopsis angolensis Baker.
Pericopsis eleta
Pericopsis laxiflora Benth.
Pericopsis mooniana
Phaseolus coccineus
Phaseolus spp.
Phaseolus vulgaris
Piptanthus nepalensis
Pisum sativum
Podocarpus amarus
Psoralea corylifolia
Pterocarpus marsupium
Pueraria Phaseoloides
Pueraria calycina
Pueraria candollei var. mirifica
Pueraria edulis
Pueraria lobata
Pueraria mirifica
Pueraria peduncularis
Pueraria thunbergiana
Pueraria tuberosa
Punica granatum
Retama raetam
Sophora flavescens
Sophora japonica
Sophora subprostrata
Taxus fuana
Taxus yunnanensis
Trifolium pratense
Trifolium repens
Tripterygium wilfordii
Ulex europaeus
Vigna radiata
(show all show less)

C₁₅H₁₀O₄

254.2410 Da
254.05791 Da

¹H NMR Spectrum (1D, 600 MHz, 100%_DMSO, experimental)
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)
¹³C NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 400 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 50 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 150 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 250 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 175 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 75 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 225 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 125 MHz, Dimethylsulfoxide-d6, simulated)
¹³C NMR Spectrum (1D, 25 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 300 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 900 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 700 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 500 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 1000 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 800 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)
¹H NMR Spectrum (1D, 600 MHz, Dimethylsulfoxide-d6, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)

NP0000033

147-94-4

Cytarabine

Animalia
Plantae

C₉H₁₃N₃O₅

243.2166 Da
243.08552 Da

¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)
[¹H, ¹H] 2D NMR Spectrum (experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, H₂O, experimental)

NP0000034

581-49-7

Anatabine

Nicotiana acaulis
Nicotiana acuminata
Nicotiana africana
Nicotiana alata
Nicotiana ameghinoi
Nicotiana amplexicaulis
Nicotiana arentsii
Nicotiana attenuata
Nicotiana benavidesii
Nicotiana benthamiana
Nicotiana bigelovii
Nicotiana bonariensis
Nicotiana cavicola
Nicotiana clevelandii
Nicotiana cordifolia
Nicotiana corymbosa
Nicotiana debneyi
Nicotiana excelsior
Nicotiana exigua
Nicotiana forgetiana
Nicotiana fragrans
Nicotiana glauca
Nicotiana glutinosa
Nicotiana goodspeedii
Nicotiana gossei
Nicotiana hesperis
Nicotiana ingulba
Nicotiana kawakamii
Nicotiana knightiana
Nicotiana langsdorffii
Nicotiana linearis
Nicotiana longibracteata
Nicotiana longiflora
Nicotiana maritima
Nicotiana megalosiphon
Nicotiana miersii
Nicotiana nesophila
Nicotiana noctiflora
Nicotiana nudicaulis
Nicotiana occidentalis
Nicotiana otophora
Nicotiana paniculata
Nicotiana pauciflora
Nicotiana petunioides
Nicotiana plumbaginifolia
Nicotiana raimondii
Nicotiana repanda
Nicotiana rosulata
Nicotiana rotundifolia
Nicotiana rustica
Nicotiana setchellii
Nicotiana simulans
Nicotiana solanifolia
Nicotiana spegazzinii
Nicotiana stocktonii
Nicotiana suaveolens
Nicotiana sylvestris
Nicotiana tabacum
Nicotiana thyrosiflora
Nicotiana tobacum
Nicotiana tomentosa
Nicotiana tomentosiformis
Nicotiana trigonophylla
Nicotiana undulata
Nicotiana velutina
Nicotiana wigandioides
(show all show less)

C₁₀H₁₂N₂

160.2157 Da
160.10005 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD₃OD, experimental)

NP0000035

520-33-2

Hesperetin

Anthurium spp.
Brickellia vernicosa
Citrus aurantium L. var. amara
Citrus spp.
Dalbergia parviflora
Isatis indigotica
Medicago sativa
Mentha aquatica L.
Mentha spp.
Prunus persica
Rhaponticum carthamoides
Rosmarinus officinalis
Salvia officinalis
Taxus fuana
Taxus yunnanensis
(show all show less)

C₁₆H₁₄O₆

302.2788 Da
302.07904 Da

¹H NMR Spectrum (1D, 400 MHz, DMSO-d6, experimental)
¹³C NMR Spectrum (1D, 50 MHz, DMSO-d6, experimental)
¹H NMR Spectrum (1D, 600 MHz, Pyridine-d5, simulated)
¹³C NMR Spectrum (1D, 150 MHz, Pyridine-d5, simulated)
¹³C NMR Spectrum (1D, 50 MHz, Pyridine-d5, simulated)
¹³C NMR Spectrum (1D, 250 MHz, Pyridine-d5, simulated)
¹³C NMR Spectrum (1D, 175 MHz, Pyridine-d5, simulated)
¹³C NMR Spectrum (1D, 75 MHz, Pyridine-d5, simulated)
¹³C NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated)
¹³C NMR Spectrum (1D, 225 MHz, Pyridine-d5, simulated)
¹³C NMR Spectrum (1D, 200 MHz, Pyridine-d5, simulated)
¹³C NMR Spectrum (1D, 125 MHz, Pyridine-d5, simulated)
¹³C NMR Spectrum (1D, 25 MHz, Pyridine-d5, simulated)
¹H NMR Spectrum (1D, 300 MHz, Pyridine-d5, simulated)
¹H NMR Spectrum (1D, 900 MHz, Pyridine-d5, simulated)
¹H NMR Spectrum (1D, 700 MHz, Pyridine-d5, simulated)
¹H NMR Spectrum (1D, 400 MHz, Pyridine-d5, simulated)
¹H NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated)
¹H NMR Spectrum (1D, 500 MHz, Pyridine-d5, simulated)
¹H NMR Spectrum (1D, 1000 MHz, Pyridine-d5, simulated)
¹H NMR Spectrum (1D, 800 MHz, Pyridine-d5, simulated)
¹H NMR Spectrum (1D, 200 MHz, Pyridine-d5, simulated)

NP0000036

626-51-7

Methylglutaric acid

Crotalaria dura
Crotalaria globifera
Triticum aestivum

C₆H₁₀O₄

146.1412 Da
146.05791 Da

¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)
¹³C NMR Spectrum (1D, 25 MHz, CDCl₃, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, H₂O, experimental)

NP0000037

111-87-5

Octanol

Anthemis aciphylla BOISS.var.discoidea BOISS
Capillipedium parviflorum
Citrus reticulata
Citrus sinensis L.
Foeniculum vulgare
Mandragora autumnalis
Medicago sativa
Ophrys fusca
Ophrys lutea
Panax quinquefolium
Prunus avium
Rhodiola rosea L.
Santalum album
Saposhnikovia divaricata
Thymus X-porlock
Thymus eriocalyx
Tipuana tipu
(show all show less)

C₈H₁₈O

130.2279 Da
130.13577 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, experimental)
¹H NMR Spectrum (1D, 90 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 25 MHz, CDCl₃, experimental)
¹H NMR Spectrum (1D, CDCl₃, experimental)
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)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD₃OD, experimental)

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