HMDB0030178 RDKit 3D (S)-Edulinine 42 43 0 0 0 0 0 0 0 0999 V2000 0.6888 -1.6593 2.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 -0.5580 1.8337 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7183 -0.4061 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0379 -0.9010 -0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2232 -1.5987 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4832 -0.8410 -0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -0.0443 -1.5696 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8201 -0.0007 0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 1.3246 0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3068 0.4211 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 -0.5978 1.9953 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -0.6712 -1.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 -1.0822 -2.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7467 0.0142 -1.9546 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3341 0.2633 -3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4277 0.5084 -0.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6087 1.2040 -1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3161 1.7134 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7968 1.5018 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 0.8024 1.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 0.3052 0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 -2.1707 2.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -2.4125 2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1813 -1.3647 3.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3433 -2.3675 -1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2297 -2.2799 0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3186 -1.6158 -0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 -0.5094 -2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5053 1.4759 1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 1.4256 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7464 2.2079 0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5061 0.5404 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9844 -0.3528 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 1.4108 1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5813 -0.9907 2.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6788 -0.0939 -4.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4034 1.3888 -3.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3716 -0.1102 -3.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9932 1.3563 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2398 2.2538 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3057 1.8763 2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1959 0.6338 2.4312 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 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 4 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 3 1 0 21 16 1 0 1 22 1 0 1 23 1 0 1 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 7 28 1 0 9 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 15 36 1 0 15 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 M END