HMDB0253092 RDKit 3D 1-(2-Hydroxyethyloxymethyl)-6-phenyl thiothymine 37 38 0 0 0 0 0 0 0 0999 V2000 1.6075 3.2951 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4968 2.6565 0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 1.3954 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 0.4510 -1.2581 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 -0.5547 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5392 -0.5853 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6012 -1.3980 0.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -2.1889 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 -2.1605 -1.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7311 -1.3369 -1.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9979 0.8663 0.7549 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5368 -0.4578 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5851 -0.3840 -0.4381 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0433 -1.6925 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1789 -1.6773 -1.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6076 -2.9985 -1.7884 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5717 1.5743 1.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 1.1193 2.4463 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1076 2.8062 2.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0871 3.3678 1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3335 4.5217 1.6207 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2591 2.5586 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1766 3.9753 -1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1584 3.9414 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 0.0398 1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9532 -1.4269 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0862 -2.8264 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 -2.7734 -2.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3962 -1.3287 -2.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 -1.1213 0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9084 -0.8849 1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4396 -2.0234 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2529 -2.3632 -0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9776 -1.0420 -1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7902 -1.2525 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6757 -3.4720 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5288 3.3806 2.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 3 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 11 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 20 2 1 0 10 5 1 0 1 22 1 0 1 23 1 0 1 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 12 30 1 0 12 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 19 37 1 0 M END