HMDB0029469 RDKit 3D Eupatilin 41 43 0 0 0 0 0 0 0 0999 V2000 6.3312 0.8239 -1.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8156 0.1222 -0.6017 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4337 0.0499 -0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 0.6249 -1.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 0.5167 -1.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6653 -0.1684 -0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2209 -0.2546 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3312 -0.9171 1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7003 -1.0295 1.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0935 -1.6490 2.3047 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5165 -0.4404 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8847 -0.5071 0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5301 -1.1353 1.5138 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6977 0.1158 -0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0817 0.0537 -0.3618 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8333 1.0428 0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1046 0.7680 -1.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9209 1.3752 -2.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7362 0.8252 -1.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9053 0.2211 -0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6053 0.2898 -0.7978 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 -0.7190 0.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -0.6392 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7754 -1.2249 1.5541 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 -1.9098 2.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4308 0.6561 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8335 0.4767 -2.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0932 1.8993 -1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9528 1.1555 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4896 0.9511 -1.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2962 -1.3946 1.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1864 -1.6144 2.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2776 1.9759 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1700 0.6027 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7250 1.2603 -0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5699 1.8744 -3.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3115 1.3534 -2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2226 -1.2633 1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4956 -2.7149 2.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9868 -2.4038 3.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6435 -1.1747 3.2934 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 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 14 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 6 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 23 3 1 0 21 7 1 0 20 11 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 8 31 1 0 13 32 1 0 16 33 1 0 16 34 1 0 16 35 1 0 18 36 1 0 19 37 1 0 22 38 1 0 25 39 1 0 25 40 1 0 25 41 1 0 M END