NP0000076 96-48-0 | Gamma-Butyrolactone | - Coffea arabica
- Coffea canephora
- Mandragora autumnalis
- Prunus avium
|  | C4H6O2
86.0892 Da 86.03678 Da | |
NP0000077 98-79-3 | Pyroglutamic acid | |  | C5H7NO3
129.1140 Da 129.04259 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) |
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NP0000081 997-55-7 | N-Acetyl-L-aspartic acid | |  | C6H9NO5
175.1394 Da 175.04807 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) |
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NP0000084 94-62-2 | Piperine | - Piper acutisleginum
- Piper betle
- Piper chaba
- Piper guineense Schum.et Thom.
- Piper khasiana
- Piper longum
- Piper nigrum
- Piper officinarum
- Piper retrofractum Vahl.
- Piper thomsoni
- Piper trichostachyon
- (show allshow less)
|  | C17H19NO3
285.3377 Da 285.13649 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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NP0000087 759-05-7 | alpha-Ketoisovaleric acid | - Arabidopsis thaliana
- Cannabis sativa
- Capsicum annuum
|  | C5H8O3
116.1152 Da 116.04734 Da | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | 1H NMR Spectrum (1D, 500 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) |
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NP0000088 314-50-1 | Orotidine | |  | C10H12N2O8
288.2109 Da 288.05937 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) | 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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NP0000090 64-85-7 | Deoxycorticosterone | |  | C21H30O3
330.4611 Da 330.21949 Da | |
NP0000091 61-19-8 | Adenosine monophosphate | - Camellia irrawadiensisia
- Camellia kissi
- Camellia ptilophylla
- Camellia sinensis
- Camellia taliensis
- Camellia toliensis
- Cannabis sativa
- Citrus maxima
- Coffea arabica
- Coffea canephora
- Coffea dewevrei
- Coffea eugeniodes
- Coffea kianjavatensis
- Coffea liberica
- Coffea racemosa
- Coffea salvatrix
- Cola sp.
- Ilex paraguariensis
- Paullinia cupana
- Theobroma cacao
- Theobroma grandiflorum
- (show allshow less)
|  | C10H14N5O7P
347.2212 Da 347.06308 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 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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NP0000092 298-12-4 | Glyoxylic acid | |  | C2H2O3
74.0355 Da 74.00039 Da | |
NP0000093 331-39-5 | Caffeic acid | |  | C9H8O4
180.1574 Da 180.04226 Da | |
NP0000094 407-41-0 | Phosphoserine | - Arabidopsis thaliana
- Cannabis sativa
|  | C3H8NO6P
185.0725 Da 185.00892 Da | |
NP0000095 83-49-8 | Hyodeoxycholic acid | |  | C24H40O4
392.5720 Da 392.29266 Da | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | 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) | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 176 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]-HSQC NMR Spectrum (2D, 600 MHz, CD3OD, experimental) |
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NP0000098 54-16-0 | 5-Hydroxyindoleacetic acid | |  | C10H9NO3
191.1834 Da 191.05824 Da | |
NP0000101 57-55-6 | Propylene glycol | - Agaricus bisporus
- Cannabis sativa
- Pleurotus ostreatus
|  | C3H8O2
76.0944 Da 76.05243 Da | |
NP0000103 328-50-7 | Oxoglutaric acid | |  | C5H6O5
146.0981 Da 146.02152 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) |
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NP0000107 1199-18-4 | 6-Hydroxydopamine | |  | C8H11NO3
169.1778 Da 169.07389 Da | 1H NMR Spectrum (1D, 600 MHz, DMSO, simulated) | 1H NMR Spectrum (1D, 600 MHz, DMSO, simulated) | 1H NMR Spectrum (1D, 600 MHz, DMSO, experimental) | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental) |
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NP0000110 90-50-6 | 3,4,5-Trimethoxycinnamic acid | |  | C12H14O5
238.2366 Da 238.08412 Da | |
NP0000111 38561-68-1 | cis-4-Octenedioic acid | |  | C8H12O4
172.1785 Da 172.07356 Da | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) |
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NP0000112 34612-38-9 | Maltotetraose | |  | C24H42O21
666.5777 Da 666.22186 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]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) |
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NP0000113 625-33-2 | Methyl propenyl ketone | |  | C5H8O
84.1164 Da 84.05751 Da | |
NP0000114 150-97-0 | Mevalonic acid | - Arabidopsis thaliana
- Asparagus officinalis
- Cannabis sativa
- Chamaemelum nobile
- Clausena lansium
- Gentiana straminea
- Matricaria recutita
- Momordica charantia
- Panax ginseng
- Polygonum minus
- Rosmarinus officinalis
- Salvia miltiorrhiza
- Salvia splendens
- Santalum album
- Tripterygium wilfordii
- (show allshow less)
|  | C6H12O4
148.1571 Da 148.07356 Da | |
NP0000117 764-22-7 | Sphinganine | - Arabidopsis thaliana
- Cannabis sativa
- Curcuma longa
|  | C18H39NO2
301.5078 Da 301.29808 Da | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, CD3OD, experimental) |
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NP0000119 3184-13-2 | Ornithine | |  | C5H12N2O2
132.1610 Da 132.08988 Da | 1H NMR Spectrum (1D, 500 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) |
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NP0000120 52-90-4 | L-Cysteine | |  | C3H7NO2S
121.1580 Da 121.01975 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) |
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NP0000121 131-99-7 | Inosinic acid | |  | C10H13N4O8P
348.2060 Da 348.04710 Da | |