HMDB0247613 RDKit 3D 11-(3-Pentyloxiran-2-yl)undec-9-enoic acid 53 53 0 0 0 0 0 0 0 0999 V2000 -7.9623 1.5060 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6763 0.2154 1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1938 -0.0796 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5667 -0.1694 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0788 -0.4689 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4296 -0.5697 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4416 0.5061 -1.9543 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 0.3223 -1.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1095 -0.3951 -2.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7229 -1.5405 -1.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 -1.7278 -0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 -0.8017 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0854 -0.2663 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 0.6980 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3414 -0.0112 -0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4803 0.9851 -0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9915 1.5429 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5363 0.5116 1.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6726 -0.1781 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4594 -1.0796 -0.0209 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9853 0.1553 1.1349 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8750 1.9803 1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2688 1.3111 -0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1672 2.2529 0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1176 0.2484 2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1509 -0.6182 0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7135 0.7443 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0435 -0.9998 2.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9587 -1.0131 -0.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7034 0.7761 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9655 -1.4256 0.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6077 0.3347 0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -1.5582 -1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9659 1.0685 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5418 -0.8327 -2.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3492 0.3147 -2.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5346 -2.2814 -0.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7155 -2.6008 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3674 0.0696 -1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3932 -1.4067 -1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2121 0.2125 0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4497 -1.1435 0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5382 1.1824 1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8369 1.4773 -0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7473 -0.8419 0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0478 -0.3975 -1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0275 1.7955 -1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3047 0.4753 -1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8399 2.2423 0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2521 2.1883 1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8509 1.0637 2.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7662 -0.2306 1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6739 -0.4809 1.4931 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 9 10 1 0 10 11 2 3 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 8 6 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 21 53 1 0 M END