Chemical Structure Search
Search by chemical structure
Results 1 — 14 of approximately 14 results
PHUB002406 Score: 1.0 | Paraxanthine 611-59-6 precursor | C7H8N4O2 Mono mass: 180.064725514 | |
PHUB000790 Score: 0.96 | Theobromine 83-67-0 precursor | C7H8N4O2 Mono mass: 180.064725514 | |
PHUB002534 Score: 0.952 | 1,7-dimethyluricacid 33868-03-0 | C7H8N4O3 Mono mass: 196.059640134 | |
PHUB000789 Score: 0.945 | Caffeine 58-08-2 precursor | C8H10N4O2 Mono mass: 194.080375578 | |
PHUB002340 Score: 0.942 | 1-methylxanthine 6136-37-4 | C6H6N4O2 Mono mass: 166.049075449 | |
PHUB002536 Score: 0.933 | 7-methylxanthine 552-62-5 | C6H6N4O2 Mono mass: 166.049075449 | |
PHUB002403 Score: 0.915 | 3,7 dimethyluric acid 13087-49-5 | C7H8N4O3 Mono mass: 196.059640134 | |
PHUB002533 Score: 0.905 | 1-methyluric acid 708-79-2 | C6H6N4O3 Mono mass: 182.043990069 | |
PHUB002336 Score: 0.902 | 1,3,7-Trimethyluric acid 5415-44-1 | C8H10N4O3 Mono mass: 210.075290198 | |
PHUB002538 Score: 0.897 | 7-methyluric acid | C6H6N4O3 Mono mass: 182.043990069 | |
PHUB002535 Score: 0.895 | 3-methylxanthine 1076-22-8 | C6H6N4O2 Mono mass: 166.049075449 | |
PHUB000791 Score: 0.89 | Theophylline 58-55-9 precursor | C7H8N4O2 Mono mass: 180.064725514 | |
PHUB002539 Score: 0.862 | 3-Methyluric acid 605-99-2 | C6H6N4O3 Mono mass: 182.043990069 | |
PHUB002107 Score: 0.857 | 1,3-dimethyluric acid 944-73-0 | C7H8N4O3 Mono mass: 196.059640134 |