| 35892 | 118-90-1 | 邻甲基苯甲酸 | O-Toluic acid | C8H8O2 | 136.15 |
| 986727 | 81416-72-0 | 15-KETE(15-氧代-ETE) | 15-KETE (15-oxo-ETE) | C20H30O3 | 318.45 |
| 98970 | 153310-48-6 | 4-甲氧基-1H-吲哚-3-甲胺 | 1H-Indole-3-methanamine,4-methoxy- | C10H12N2O | 176.22 |
| 516918 | 6236-10-8 | Α-羥-Α-甲基丁二酸 | Butanedioic acid,2-hydroxy-2-methyl-, (2R)- | C5H8O5 | 148.11 |
| 367994 | 500-44-7 | L(-)-含羞草氨酸[Β-[N-(3-羟基-4-吡啶酮)]-Α-氨基丙酸] | Mimosine | C8H10N2O4 | 198.18 |
| 33571 | 53-59-8 | NADP | NADP | C21H28N7O17P3 | 743.41 |
| 368897 | 597-12-6 | 松三糖,水合物 | D-(+)-Melezitose | C18H32O16 | 504.44 |
| 37871 | 505-54-4 | 十六烷基二酸 | Hexadecanedioic acid | C16H30O4 | 286.41 |
| 3046622 | 1021913-49-4 | trans-caffeoyl-CoA | trans-caffeoyl-CoA | C30H42N7O19P3S | 929.68 |
| 36862 | 327-57-1 | 异氨己酸 | L-Norleucine | C6H13NO2 | 131.17 |
| 6768565 | 356534-71-9 | 2-苯甲酰氧基-3-丁烯基硫代葡萄糖苷 | 2-Benzoyloxy-3-butenyl glucosinolate | C18H23NO11S2 | 493.51 |
| 2043934 | 16597-51-6 | 6-脱氧-β-L-吡喃半乳糖基鸟苷-5'-二磷酸 | 6-deoxy-beta-L-galactopyranosylguanosine-5'-diphosphate | C16H25N5O15P2 | 589.34 |
| 725260 | 83851-42-7 | 白三烯 | Leukotriene F4 | C28H44N2O8S | 568.72 |
| 38976 | 616-91-1 | N-乙酰半胱氨酸 | Acetylcysteine | C5H9NO3S | 163.19 |
| 1638979 | 62643-46-3 | 20-羟基乙酸 | 20-hydroxyicosanoic acid | C20H40O3 | 328.53 |
| 503758 | 6052-68-2 | 2,3,4,9-四氢-1H-beta-咔啉-3-羧酸 | 1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid | C12H12N2O2 | 216.24 |
| 4524231 | 603998-18-1 | β-D-吡喃半乳糖苷,(2S)-2-[[1-氧代-6-[[rel-(1R,5R)]-4-氧代-5-(2Z)-2-戊烯-1-基-2-环戊烯-1-基]己基]氧基]-3-[[1-氧代-8-[[rel-(1R,5R)-]-4-氧代-5-(2Z)-2-戊烯-1-基-2-环戊烯-1-基]氧基]丙基 | β-D-Galactopyranoside, (2S)-2-[[1-oxo-6-[[rel-(1R,5R)]-4-oxo-5-(2Z)-2-penten-1-yl-2-cyclopenten-1-yl]hexyl]oxy]-3-[[1-oxo-8-[[rel-(1R,5R)-]-4-oxo-5-(2Z)-2-penten-1-yl-2-cyclopenten-1-yl]octyl]oxy]propyl | C43H66O12 | 774.98 |
| 2358764 | 1039384-45-6 | [2H3]-维生素B2-5-磷酸盐 | [2H3]-Riboflavin-5-phosphate | C17H21N4O9P | 456.34 |
| 1104688 | 132169-26-7 | 1-甲氧基-1H-吲哚-3-甲胺 | 1-methoxy-1H-Indole-3-methanamine | C10H12N2O | 176.22 |
| 369233 | 5561-87-5 | 3-羟基癸酸 | (+/-)-3-Hydroxydecanoic Acid | C10H20O3 | 188.26 |
| 4745447 | 142185-30-6 | trans-Feruloyl-CoA | Coenzyme A, S-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] | C31H44N7O19P3S | 943.7 |
| 38019 | 526-99-8 | 粘酸 | Galactaric acid | C6H10O8 | 210.14 |
| 750428 | 98958-45-3 | 1-辛胺,8-(甲硫基)- | 1-Octanamine, 8-(methylthio)- | C9H21NS | 175.33 |
| 34415 | 87-32-1 | N-乙酰基-DL-色氨酸 | N-Acetyl-tryptophan | C13H14N2O3 | 246.26 |
| 83203 | 923-37-5 | 氨基甲酰基-DL-天冬氨酸 | N-Carbamoyl-DL-aspartic Acid | C5H8N2O5 | 176.13 |
| 55041 | 39537-23-0 | L-丙氨酰-L-谷氨酰胺 | L-Alanyl-L-Glutamine | C8H15N3O4 | 217.22 |
| 364404 | 506-47-8 | 26-羟基己二酸- | Hexacosanoic acid, 26-hydroxy- | C26H52O3 | 412.69 |
| 572353 | 7028-48-0 | 苯乙醛肟 | Benzeneacetaldehyde,oxime | C8H9NO | 135.16 |
| 34434 | 87-69-4 | L-酒石酸 | L(+)-Tartaric acid | C4H6O6 | 150.09 |
| 2067124 | 65338-03-6 | 芳香酸二铵 | diammonium arogenate | C10H16N2O5 | 244.24 |
| 2034446 | 135531-86-1 | 卡马列辛 | Camalexin | C11H8N2S | 200.26 |
| 60034 | 78821-43-9 | 天丰素 | Epibrassinolide | C28H48O6 | 480.68 |
| 4738248 | 461670-12-2 | 6H-苯并[c]茚并[5,4-e]氧杂吡啶-6-酮,1-[(1S,2R,3R,4S)-2,3-二羟基-1,4,5-三甲基己基-6,6,6-d3]十六氢-8,9-二羟基-10a,12a-二甲基-(1R,3aS,3bS,6aS,8R,9R,10aR,10bS,12aS)-(9CI) | 6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethylhexyl-6,6,6-d3]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8R,9R,10aR,10bS,12aS)- (9CI) | C28H48O6 | 480.68 |
| 932964 | 499-37-6 | 1-硫代-β-D-吡喃葡萄糖1-(6-(甲基亚磺酰基)-N-(磺酰氧基)己基日期) | 1-Thio-beta-D-glucopyranose 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimi date) | C13H25NO10S3 | 451.53 |
| 2847460 | 263016-95-1 | [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S)-2,4-dihydroxy-3-methyl-3-phosphonooxybutyl] hydrogen phosphate | 4-CDP-2-C-methyl-D-erythritol 2-phosphate | C14H26N3O17P3 | 601.29 |
| 1488438 | 38165-56-9 | 反式玉米素-7-葡萄糖苷 | trans-Zeatin-7-glucoside | C16H23N5O6 | 381.38 |
| 51317 | 19461-38-2 | 甘氨酰-L-异亮氨酸 | N-Glycyl-L-isoleucine | C8H16N2O3 | 188.22 |
| 82800 | 625-08-1 | β-羟基异戊酸 | b-Hydroxyisovaleric Acid | C5H10O3 | 118.13 |
| 1459724 | 33755-52-1 | Tirucala-7,24-dien-3β-ol | tirucalla-7,24-dien-3beta-ol | C30H50O | 426.72 |
| 215083 | 166547-24-6 | (2S,4Ar,4bR,8S,8aR,10aS)-7-乙烯基-2-羟基-1,1,4a,8-四甲基-2,4,4b,8,8a,9,10,10a-八氢菲-3,5-二酮 | (2S,4Ar,4bR,8S,8aR,10aS)-7-ethenyl-2-hydroxy-1,1,4a,8-tetramethyl-2,4,4b,8,8a,9,10,10a-octahydrophenanthrene-3,5-dione | C20H28O3 | 316.43 |
| 6646021 | 17088-65-2 | 三磷酸二氢新蝶呤 | Dihydroneopterin triphosphate | C9H16N5O13P3 | 495.17 |
| 516485 | 628-22-8 | 4-羟基丁腈 | 4-hydroxybutanenitrile | C4H7NO | 85.1 |
| 373097 | 5094-31-5 | 2-[(4-羟基苯甲酰基)氧基]-N,N,N-三甲基乙胺- | Ethanaminium,2-[(4-hydroxybenzoyl)oxy]-N,N,N-trimethyl- | C12H18NO3 | 224.28 |
| 6705157 | 1309568-66-8 | 6-O-β-D-吡喃甘露糖基-D-甘露糖;α-吡喃糖 | 6-O-β-D-Mannopyranosyl-D-mannose; α-Pyranose-form | C12H22O11 | 342.3 |
| 2838778 | 272785-02-1 | 4-(3-hydroxyprop-1-enyl)benzene-1,2-diol | Caffeyl alcohol | C9H10O3 | 166.17 |
| 3903898 | 208586-82-7 | (5α,22S,24R)-22-羟基麦角甾-3-酮 | (5α,22S,24R)-22-Hydroxyergostan-3-one | C28H48O2 | 416.68 |
| 5070239 | 217652-08-9 | Glucobrassicine | Glucobrassicine | C16H20N2O9S2 | 448.47 |
| 548660 | 76946-74-2 | 2-氨基-4-({1-(羧甲基)氨基甲酰基-2-磺酰基乙基}氨基甲酰基)丁酸 | 2-Amino-4-({1-(carboxymethyl)carbamoyl-2-sulfanylethyl}carbamoyl)butanoic acid | C10H17N3O6S | 307.32 |
| 804615 | 921-62-0 | 3,4-二甲基-2-戊烯 | (2R,3S,4R,5R)-2,3,4,5-Tetrahydroxy-6-(phosphonooxy)hexanoic acid | C6H13O10P | 276.14 |
| 210168 | 13588-94-8 | L-缬氨酰基-L-丝氨酸 | H-Val-Ser-OH | C8H16N2O4 | 204.22 |