HMDB0060791 RDKit 3D 6-Thioinosinic acid 31 33 0 0 0 0 0 0 0 0999 V2000 -2.9176 1.6593 -0.3258 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6414 0.4718 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7306 -0.6956 -0.1582 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5918 -0.6693 -0.9168 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4947 -0.7149 -0.1099 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6669 -0.0815 -0.6837 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 0.8171 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0693 1.1416 -1.8895 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8177 0.4300 -1.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1807 0.3992 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3463 1.3612 -1.7549 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6539 -0.4094 0.1455 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8068 -1.1606 0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 -1.1167 0.6845 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 -0.3193 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9297 0.0056 1.1622 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1520 -0.3115 2.2448 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3546 -0.4721 1.2787 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4355 -1.6093 2.0554 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1925 2.3165 -1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9675 0.3976 -1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5133 0.5209 0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3118 -1.6197 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2076 -1.7638 0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 1.2001 -2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9313 2.7140 -1.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2118 -1.8180 1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 1.0811 0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6192 0.3357 2.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9771 0.3105 1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0128 -2.4004 1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 5 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 3 1 0 15 6 1 0 15 9 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 1 5 24 1 1 7 25 1 0 11 26 1 0 13 27 1 0 16 28 1 6 17 29 1 0 18 30 1 1 19 31 1 0 M END