HMDB0039014 RDKit 3D Nepetariaside 52 53 0 0 0 0 0 0 0 0999 V2000 -2.0587 2.2031 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1118 1.0253 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2512 1.2075 1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6865 0.2449 1.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7031 0.1206 0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8501 0.5898 1.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 0.6270 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 1.7326 -0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0985 1.6751 -1.3337 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3195 -0.6952 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5833 -1.0979 0.1962 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3463 -1.7789 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6439 -2.3708 1.3572 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9186 -1.3077 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2022 -2.0864 1.1037 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -0.2815 -0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1947 -0.2354 -1.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6918 -0.2329 -1.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1062 -0.4656 -0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8040 0.6455 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7957 -0.9097 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9209 -1.0936 1.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0932 -0.8697 2.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1392 -1.5989 2.2375 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6592 2.1059 -1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3944 3.1026 -0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5842 2.4389 0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3774 1.2350 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2728 2.2274 1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8114 1.3855 2.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5346 0.7933 -0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8086 0.9375 1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0963 1.5986 -1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 2.7253 -0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7291 2.3674 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3666 -0.5547 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2698 -0.8591 -0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 -2.5848 -0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5517 -2.7871 1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4191 -1.5112 -0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7126 -2.8869 1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8264 -1.0021 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8821 0.7045 -2.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7874 -1.0491 -2.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0281 -1.0794 -2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1737 0.6586 -2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8468 -1.3261 -0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3792 0.9745 1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8609 1.5381 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8822 0.4068 0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7639 -2.0186 -0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1359 -2.5880 2.5053 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 1 0 8 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 2 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 14 5 1 0 21 16 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 5 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 15 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 24 52 1 0 M END