HMDB0301741 RDKit 3D Todolactol A 51 53 0 0 0 0 0 0 0 0999 V2000 5.7297 2.5732 1.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1264 1.2204 1.2243 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 0.1595 1.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8526 0.3642 1.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9216 -0.6639 1.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4722 -0.4339 1.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 -0.3811 0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8734 -1.6124 -0.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7001 -1.3167 -1.9769 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1653 -2.4293 -0.2508 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0818 -1.7952 0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -0.3348 0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 0.4018 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9972 1.7201 -0.7606 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9214 0.3999 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4822 -0.0871 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8732 -0.1088 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6759 0.3658 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0722 0.3515 0.1064 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1405 0.8659 -1.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0197 1.3274 -2.1805 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5189 1.8483 -3.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7576 0.8745 -1.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4373 -1.9405 1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -2.1879 1.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6819 -1.1431 1.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0507 -1.3458 1.3314 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8037 2.6819 0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5425 2.9896 2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4962 3.1877 0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4552 1.3786 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3293 0.5709 2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9433 -1.1510 2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0112 0.5398 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8245 -2.1754 -0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 -0.5763 -2.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0783 -1.9833 0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0442 -2.2232 1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8651 0.1157 1.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2524 -0.1121 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4178 2.0825 -1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9013 -0.4513 1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2742 -0.5042 1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4757 -0.0120 0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6588 2.5273 -3.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1878 1.0137 -4.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3041 2.4136 -3.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3714 1.2670 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 -2.7853 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2043 -3.1940 1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4086 -2.2924 1.3697 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 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 20 23 2 0 5 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 3 1 0 12 7 1 0 23 15 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 16 42 1 0 17 43 1 0 19 44 1 0 22 45 1 0 22 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 27 51 1 0 M END