HMDB0251659 RDKit 3D 6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazole 38 40 0 0 0 0 0 0 0 0999 V2000 -3.9321 3.4188 -0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 3.1210 -0.0384 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 1.7792 0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0016 1.2885 0.4638 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7703 0.0072 0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -0.6229 0.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 0.2072 1.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3428 0.8389 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1063 2.1210 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 2.6604 -1.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 1.9201 -1.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1238 0.6807 -1.2749 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3603 0.1484 -0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5119 -1.9869 0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7499 -2.6789 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -2.8255 0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -4.1947 0.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6698 -2.1829 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8056 -2.9828 -0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 -0.8061 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9907 0.3385 -0.3884 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4503 4.1962 0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 2.5400 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9059 3.8143 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9851 3.8771 0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 1.0372 1.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1668 -0.2958 2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3442 2.7477 0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7288 3.6652 -1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5323 2.3343 -2.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6307 -0.8734 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4156 -2.8917 0.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4887 -3.7176 1.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2374 -2.2113 2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -4.8127 0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6303 -2.3653 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4638 -3.6198 -1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1998 -3.6735 0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 6 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 3 1 0 20 5 1 0 13 8 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 7 26 1 0 7 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 13 31 1 0 15 32 1 0 15 33 1 0 15 34 1 0 17 35 1 0 19 36 1 0 19 37 1 0 19 38 1 0 M END