| 17990-42-0 | Oleanonic acid | 齐墩果酮酸 | C30H46O3 | 454.6844 |
| 60-70-8 | Veratramine | 黎芦胺 | C27H39NO2 | 409.604068040848 |
| 89250-26-0 | Astragalus Polysacharin | 黄芪多糖 | C10H7ClN2O2S | 254.692779779434 |
| 6754-58-1 | Xanthohumol | 黄腐醇 | C21H5O5 | 337.261405706406 |
| 35457-80-8 | Midecamycin | 麦迪霉素 | C41H67NO15 | 813.968394517899 |
| 25514-31-2 | Bruceine A | 鸦胆子素 A | C26H34O11 | 522.541569232941 |
| 41451-75-6 | Bruceantin | 鸦胆停 | C28H36O11 | 548.57884979248 |
| 17680-84-1 | Homoplantaginin | 高车前苷 | C22H22O11 | 462.403487682343 |
| 1447-88-7 | Hispidulin | 高车前素 | C16H12O6 | 300.262885093689 |
| 59937-28-9 | Malotilate | 二噻茂醋 | C12H16O4S2 | 288.383041381836 |
| 85650-57-3 | Setiptiline maleate | 司普替林马来酸盐 | C23H23NO4 | 377.4330265522 |
| 3621-36-1 | Columbamine | 非洲防己碱 | C20H20NO4 | 338.377105712891 |
| 74285-86-2 | Triptophenolide | 雷酚内酯 | C20H24O3 | 312.402766227722 |
| 84692-91-1 | Arglabin | 小白菊内酯衍生物 | C15H18O3 | 246.301624774933 |
| 681006-28-0 | AICAR phosphate | AICAR (phosphate) | C9H17N4O9P | 356.2264 |
| 26750-81-2 | Alibendol | 阿利苯多 | C13H17NO4 | 251.278383970261 |
| 110862-48-1 | Atorvastatin | 阿伐他汀 | C33H35FN2O5 | 558.639812707901 |
| 104987-12-4 | Ascomycin | 长川霉素 | C43H69NO12 | 792.0075 |
| 481-46-9 | Ginkgetin | 银杏素 | C32H22O10 | 566.511089801788 |
| 480-44-4 | Acacetin | 刺槐素 | C16H12O5 | 284.263484954834 |
| 179463-17-3 | Caspofungin diacetate | 醋酸卡泊芬净 | C52H88N10O15.2[C2H4O2] | 1213.41704 |
| 487-39-8 | Phillygenin | 连翘脂素 | C21H24O6 | 372.4117 |
| 472-26-4 | Telocinobufagin | 远华蟾毒精 | C24H34O5 | 402.523767948151 |
| 465-42-9 | Capsanthin | 辣椒红 | C40H56O3 | 584.870852470398 |
| 76547-98-3 | Lisinopril | 赖诺普利 | C21H31N3O5 | 405.487945795059 |
| 174022-42-5 | Bevirimat | Bevirimat | C36H56O6 | 584.826251983643 |
| 19773-24-1 | Peimisine | 贝母辛 | C27H41NO3 | 427.619348287582 |
| 91599-74-5 | Benidipine hydrochloride | 盐酸贝尼地平 | C28H32ClN3O6 | 542.023186683655 |
| 23094-71-5 | Chebulagic acid | 坷子联苯酸 | C41H30O27 | 954.6607 |
| 514-78-3 | canthaxanthin | 斑蝥黄 | C40H52O2 | 564.839692115784 |
| 148717-90-2 | Squalamine | (3Β,5Α,7Α)-3-[[3-((4-氨基丁基)氨基)丙基]氨基]胆甾烷-7,24-二醇24-氢硫酸酯 | C34H65N3O5S | 627.962009191513 |
| 28448-85-3 | Bavachalcone | 补骨脂查耳酮 | C20H20O4 | 324.3704 |
| 18642-23-4 | Psoralidin | 补骨脂定 | C20H16O5 | 336.338046073914 |
| 471-95-4 | Bufotalin | 蟾毒它灵 | C26H36O6 | 444.5604 |
| 465-21-4 | Bufalin | 蟾毒灵 | C24H34O4 | 386.5244 |
| 465-39-4 | Resibufogenin | 脂蟾毒配基 | C24H32O4 | 384.5085 |
| 70553-76-3 | Daurisoline | 蝙蝠葛苏林碱 | C37H42N2O6 | 610.739190578461 |
| 37318-31-3 | α-D-Glucopyranoside-β-D-fructofuranosyl Octadecanoate | 蔗糖硬脂酸酯 | C30H56O12 | 608.758451461792 |
| 469-59-0 | Jervine | 介芬胺 | C27H39NO3 | 425.6035 |
| 2222-07-3 | Cucurbitacin I | 葫芦素I | C30H42O7 | 514.6503 |
| 18444-66-1 | Cucurbitacin E | 葫芦素 E | C32H44O8 | 556.6870 |
| 6199-67-3 | Cucurbitacin B | 葫芦素B | C32H46O8 | 558.702850818634 |
| 474-62-4 | Campesterol | 菜油甾醇 | C28H48O | 400.6801 |
| 63550-99-2 | Rebaudioside C | 莱苞迪苷C | C44H70O22 | 951.01341676712 |
| 13657-68-6 | Curdione | 莪术二酮 | C15H24O2 | 236.349864959717 |
| 53185-12-9 | Fagomine | 荞麦碱 | C6H13NO3 | 147.172322034836 |
| 4670-05-7 | Theaflavin | 茶黄素 | C29H24O12 | 564.493669509888 |
| 29070-92-6 | Pachymic acid | 茯苓酸 | C33H52O5 | 528.762990951538 |
| 22457-89-2 | Benfotiamine | 苯磷硫胺 | C19H23N4O6PS | 466.447883844376 |
| 38642-49-8 | Benzoylpaeoniflorin | 苯甲酰芍药苷 | C30H32O12 | 584.57 |
