HMDB0034256 RDKit 3D (+)-Sesamin 44 49 0 0 0 0 0 0 0 0999 V2000 -2.9663 -0.9967 -1.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2618 -1.5202 -1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2931 -0.8112 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0450 0.4605 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7644 0.9534 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7078 0.2502 -0.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3816 0.9236 -0.7278 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2375 1.5013 0.5548 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9033 0.4333 1.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 -0.2436 0.5937 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4224 0.6200 0.7500 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6995 0.0031 0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9503 -1.3308 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 -1.7961 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 -0.9440 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0113 0.4080 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7498 0.8620 0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 1.0785 -0.6128 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2374 0.1578 -0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5639 -1.0776 -0.7106 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1937 1.6562 -0.1894 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9563 0.8850 -1.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 0.0145 -0.8287 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2386 0.9635 0.5107 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2746 0.0455 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6358 -1.0905 -0.3155 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1716 -1.5641 -1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4412 -2.5100 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5508 1.9563 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3669 1.7334 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7348 -0.2508 1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 0.7914 2.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3241 -1.2849 0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 0.9987 1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1919 -2.0325 0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4193 -2.8670 -0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6103 1.9342 0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6162 0.2381 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0163 0.3405 -1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 0.2180 -1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 1.5035 -2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3182 -0.8838 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9609 0.5260 -0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8121 -0.2526 1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 11 21 1 0 21 22 1 0 22 23 1 0 4 24 1 0 24 25 1 0 25 26 1 0 6 1 1 0 23 7 1 0 26 3 1 0 23 10 1 0 17 12 1 0 20 15 1 0 1 27 1 0 2 28 1 0 5 29 1 0 7 30 1 6 9 31 1 0 9 32 1 0 10 33 1 1 11 34 1 1 13 35 1 0 14 36 1 0 17 37 1 0 19 38 1 0 19 39 1 0 22 40 1 0 22 41 1 0 23 42 1 6 25 43 1 0 25 44 1 0 M END