NP0000040 693-72-1 | Vaccenic acid | |  | C18H34O2
282.4680 Da 282.25588 Da | 1H NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | 1H NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | 1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, CDCl3, experimental) |
|
NP0000041 557-59-5 | Tetracosanoic acid | - Adenanthera pavonina
- Alpinia oxyphylla
- Angelica sinensis
- Anisomeles indica
- Arabidopsis thaliana
- Bupleurum chinense
- Calophyllum calaba
- Calophyllum inophyllum
- Clitoria ternata
- Mangifera indica
- Notopterygium incisum
- Peucedanum govanianum var.bicolo
- Pinus koraiensis
- Pinus sibirica
- Saposhnikovia divaricata
- Strychnos nitida
- Trichosanthes kirilowii
- Triticum aestivum
- (show allshow less)
|  | C24H48O2
368.6367 Da 368.36543 Da | |
NP0000043 5122-36-1 | FAPy-adenine | |  | C5H7N5O
153.1420 Da 153.06506 Da | 1H NMR Spectrum (1D, 600 MHz, H2O, simulated) | 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) |
|
NP0000045 110-17-8 | Fumaric acid | - Arabidopsis thaliana
- Astragalus alopecurus
- Cannabis sativa
- Capsella bursa-pastoris
- Carica papaya
- Cicer arietinum
- Cirsium wallichii
- Corydalis yanhusuo
- Curcuma domestica
- Daphniphyllum calycinum
- Euphorbia antiquorum
- Ficus carica
- Fumaria officinalis
- Glaucium flavum
- Helianthus annuus
- Lithospermum arvense
- Malus domestica
- Pisum sativum
- Plantago major
- Punica granatum
- Pyrrosia shearei
- Rhodiola crenulata
- Rhodiola rosea
- Saccharum sinensis
- Sarcandra glabra
- Sebertia acuminata
- Senecio nemorensis
- Sophora alopecuroides
- Torreya yunnanensis
- Urtica dioica
- Vicia faba
- (show allshow less)
|  | C4H4O4
116.0722 Da 116.01096 Da | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | 13C NMR Spectrum (1D, 400 MHz, H2O, simulated) | 13C NMR Spectrum (1D, 400 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 700 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 700 MHz, H2O, experimental) | 13C NMR Spectrum (1D, 400 MHz, H2O, simulated) | 13C NMR Spectrum (1D, 400 MHz, H2O, experimental) | 13C NMR Spectrum (1D, 400 MHz, H2O, simulated) | 13C NMR Spectrum (1D, 400 MHz, H2O, experimental) | 13C NMR Spectrum (1D, 400 MHz, H2O, simulated) | 13C NMR Spectrum (1D, 400 MHz, H2O, experimental) | 13C NMR Spectrum (1D, 400 MHz, H2O, simulated) | 13C NMR Spectrum (1D, 400 MHz, H2O, experimental) | 13C NMR Spectrum (1D, 400 MHz, H2O, simulated) | 13C NMR Spectrum (1D, 400 MHz, H2O, experimental) | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) |
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NP0000046 10139-18-1 | Alpha-D-Glucose 1,6-bisphosphate | |  | C6H14O12P2
340.1157 Da 339.99605 Da | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 25 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) | 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) | 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) |
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NP0000047 611-59-6 | Paraxanthine | - Camellia assamica
- Camellia kissi
- Camellia sinensis
- Camellia taliensis
- Camellia toliensis
- Cannabis sativa
- Citrus limon
- Citrus maxima
- Citrus paradisi
- Coffea arabica
- Coffea canephora
- Coffea dewevrei
- Coffea eugeniodes
- Coffea kianjavatensis
- Coffea liberica
- Coffea racemosa
- Coffea salvatrix
- Cola sp.
- Ilex paraguariensis
- Paullinia cupana
- Paullinia trifoliata
- Theobroma cacao
- Theobroma grandiflorum
- (show allshow less)
|  | C7H8N4O2
180.1640 Da 180.06473 Da | |
NP0000048 821-38-5 | Tetradecanedioic acid | - Annona squamosa
- Triticum aestivum
|  | C14H26O4
258.3538 Da 258.18311 Da | 1H NMR Spectrum (1D, 500 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 500 MHz, H2O, simulated) | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, CD3OD, experimental) |
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NP0000051 879-37-8 | 1H-Indole-3-acetamide | - Citrus unshiu
- Euphorbia escula
- Phaseolus mungo
- Pisum sativum
|  | C10H10N2O
174.1992 Da 174.07931 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) |
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NP0000052 600-15-7 | 2-Hydroxybutyric acid | |  | C4H8O3
104.1045 Da 104.04734 Da | 1H NMR Spectrum (1D, 600 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) |
|
NP0000053 6338-41-6 | Sumiki's acid | - Animalia
- Eubacteria
- Fungi
|  | C6H6O4
142.1094 Da 142.02661 Da | |
NP0000055 106-60-5 | 5-Aminolevulinic acid | - Animalia
- Eubacteria
- Fungi
|  | C5H9NO3
131.1299 Da 131.05824 Da | |
NP0000056 3040-38-8 | L-Acetylcarnitine | |  | C9H17NO4
203.2380 Da 203.11576 Da | 1H NMR Spectrum (1D, 600 MHz, H2O, simulated) | 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) |
|
NP0000058 61-54-1 | Tryptamine | - Acacia baileyana
- Acacia rigidula
- Ailanthus altissima
- Aloe vela
- Andrographis paniculatus
- Angelica sinensis
- Arabidopsis thaliana
- Arnebia euchroma
- Beta vulgaris
- Cannabis sativa
- Carica papaya
- Catharanthus roseus
- Chenopodium rubrum
- Cistanche deserticola
- Citrus reticulata
- Coptis chinensis
- Cucumis sativus
- Curcuma aeruginosa
- Dendranthema morifolium
- Desmodium elegans
- Desmodium styracifolium
- Dicorynia guianensis
- Epimedium brevicornum
- Eucommia ulmoides
- Forsythia suspensa
- Gentiana macrophylla
- Gentiana scabra
- Glycyrrhiza uralensis
- Hordeum vulgare
- Hypericum perforatum
- Isatis indigotica
- Lens culinaris
- Lens esculenta
- Leonurus japonicus
- Lobelia chinensis
- Lonicera japonica
- Lupinus albus
- Lycium barbarum
- Mahonia bealei
- Mimosa scabrella
- Mimosa somnians
- Morus alba
- Mucuna pruriens
- Musa spp.
- Nicotiana tabacum
- Nicotiana tobacum
- Ophiopogon japonicus
- Ophiorrhiza pumila
- Panax notoginsneg
- Patrinia scabiosifolia
- Pentaceras australis
- Petalostylis labicheoides
- Pharbitis nil
- Phellodendron amurense
- Piptadenia peregrina
- Polygala tenuifolia
- Polygonatum sibiricum
- Polygonum multiflorum
- Prosopis alba
- Prosopis nigra
- Prunella vulgaris
- Prunus cerasus
- Pueraria lobata
- Punica granatum
- Raphanus sativus
- Rehmannia glutinosa
- Rheum palmatum
- Rubus chingii
- Salvia miltiorrhiza
- Scrophularia ningpoensis
- Scutellaria amoena
- Scutellaria baicalensis
- Solanum lycopersicum
- Solanum tuberosum
- Sophora flavescens
- Syzygium aromaticum
- Tachigali paniculata
- Tanacetum parthenium
- Taxillus chinensis
- Uncaria rhynchophylla
- Viola philipica
- Zea mays
- Ziziphus jujuba
- (show allshow less)
|  | C10H12N2
160.2157 Da 160.10005 Da | |
NP0000060 2490-97-3 | N-Acetylglutamine | |  | C7H12N2O4
188.1812 Da 188.07971 Da | 1H NMR Spectrum (1D, 500 MHz, D2O, experimental) | 13C NMR Spectrum (1D, 500 MHz, D2O, experimental) | 1H NMR Spectrum (1D, 500 MHz, D2O, experimental) | 13C NMR Spectrum (1D, 500 MHz, D2O, experimental) |
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NP0000061 501-81-5 | 3-Pyridylacetic acid | |  | C7H7NO2
137.1360 Da 137.04768 Da | 1H NMR Spectrum (1D, 600 MHz, H2O, simulated) | 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) |
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NP0000063 60317-54-6 | Suberylglycine | |  | C10H17NO5
231.2457 Da 231.11067 Da | |
NP0000064 700-06-1 | Indole-3-carbinol | - Brassica sp.
- Raphanus sativus
|  | C9H9NO
147.1739 Da 147.06841 Da | |
NP0000067 2612-02-4 | 5-Methoxysalicylic acid | |  | C8H8O4
168.1467 Da 168.04226 Da | |
NP0000068 58-64-0 | Adenosine diphosphate | |  | C10H15N5O10P2
427.2011 Da 427.02941 Da | 1H NMR Spectrum (1D, 600 MHz, DMSO, simulated) | 1H NMR Spectrum (1D, 600 MHz, DMSO, simulated) | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental) |
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NP0000069 498-21-5 | Methylsuccinic acid | |  | C5H8O4
132.1146 Da 132.04226 Da | |
NP0000070 541-47-9 | Senecioic acid | |  | C5H8O2
100.1158 Da 100.05243 Da | |
NP0000072 50-99-7 | D-Glucose | |  | C6H12O6
180.1559 Da 180.06339 Da | 1H NMR Spectrum (1D, 600 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 600 MHz, H2O, simulated) | 13C NMR Spectrum (1D, 400 MHz, H2O, simulated) | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) |
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NP0000073 503-74-2 | Isovaleric acid | - Achillea millefolium
- Arctium lappa
- Carthamus tinctorius
- Centaurea orientalis
- Coffea arabica
- Elsholtzia ciliata
- Euonymus japonicus
- Humulus lupulus
- Lithospermum erythrorhizon
- Litsea cubeba
- Morus alba
- Nardostachys chinensis
- Nicotiana tabacum
- Saxifraga stolonifera Meerb.
- Solanum lycopersicum
- Valeriana officinalis
- Valeriana spp.
- (show allshow less)
|  | C5H10O2
102.1317 Da 102.06808 Da | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | 13C NMR Spectrum (1D, 400 MHz, H2O, simulated) | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) |
|
NP0000074 3058-01-3 | 3-Methyladipic acid | |  | C7H12O4
160.1678 Da 160.07356 Da | |
NP0000075 488-81-3 | Ribitol | - Adonis vernalis
- Anthriscus sylvestris
- Brassica oleracea L. ssp. Botrytis
- Bupleurum falcatum
- Curcuma domestica
- Eugenia lehmannii
- Solanum tuberosum
- (show allshow less)
|  | C5H12O5
152.1458 Da 152.06847 Da | 1H NMR Spectrum (1D, 500 MHz, H2O, simulated) | 1H NMR Spectrum (1D, 500 MHz, H2O, simulated) | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) |
|