HMDB0284822 RDKit 3D PE(DiMe(11,5)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 142142 0 0 0 0 0 0 0 0999 V2000 -17.3764 3.0312 -1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2026 1.5077 -1.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2702 1.0933 -2.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1397 0.4691 -2.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6781 0.1128 -0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3145 0.7424 -0.4258 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.3063 2.1007 -0.4592 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3903 0.2113 -1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5315 -0.7377 -1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6165 -1.2888 -2.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7717 -2.2179 -1.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4697 -2.9419 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1944 -2.7859 0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6357 -2.2836 1.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2596 -1.8541 1.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6966 -1.3643 2.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2648 -0.9147 2.7420 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8665 -0.4416 3.9941 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2574 0.2714 1.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3756 0.4534 0.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3079 -0.5001 0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3265 -1.1492 -0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 -2.0970 -0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8822 -1.2401 -0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 -0.1064 -1.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8485 -1.6577 0.2395 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 -1.0490 0.5507 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5475 -1.9103 0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -2.1768 -1.1751 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -1.1496 -2.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1533 -0.0147 -1.5231 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9971 -1.3061 -3.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9942 -2.1012 -4.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4158 -1.8651 -4.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 -2.0793 -2.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1410 -1.3747 -1.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2680 -1.8027 -0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6242 -1.5028 -1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9437 -0.0354 -1.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2867 0.1612 -2.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.3127 -1.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8955 0.3050 -0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7963 1.2921 -0.1207 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0519 1.7446 1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0097 2.8347 1.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3379 2.2155 1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9238 1.3819 0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2312 0.7998 1.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8785 -0.0532 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2681 1.0181 1.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2517 1.2070 3.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5582 0.1306 1.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6199 -0.8633 1.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3414 -0.5406 1.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 0.4561 2.1641 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 1.2164 3.4470 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6607 0.3426 4.5306 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1761 2.1560 4.2455 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1956 2.4206 2.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 3.4945 2.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 4.5954 1.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1499 5.1399 2.9607 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.7387 3.4573 -0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1921 3.2923 -2.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4725 3.5565 -1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9317 1.3222 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2165 1.0744 -1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5731 1.3323 -3.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5129 0.2111 -2.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3918 0.1804 0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4227 -0.9972 -0.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0402 0.2939 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9426 2.4213 0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4519 0.6199 -2.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5415 -1.0667 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6381 -0.8855 -3.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1300 -2.5322 -2.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3474 -3.0053 -0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6471 -4.0748 -0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2425 -3.1100 0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2153 -2.1840 2.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6073 -1.8840 0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2812 -1.3070 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5922 -1.7182 2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9726 -0.7663 4.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0433 1.0096 2.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4241 1.3610 0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0802 -1.2474 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3532 0.1610 0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1455 -0.3686 -1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2522 -1.6827 -0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -2.4806 -1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1978 -2.8882 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 -0.0932 -0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5361 -2.8798 0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4878 -1.3881 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0422 -0.2334 -3.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -1.6127 -3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6762 -2.1023 -5.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7438 -3.2159 -3.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7619 -4.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8843 -2.3907 -5.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3716 -1.9440 -3.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3451 -3.2228 -2.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2496 -1.8340 -1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9915 -0.3054 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0317 -1.2446 0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1463 -2.8733 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3521 -1.9157 -0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8477 -2.0708 -2.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8946 0.5427 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 0.4594 -2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2837 -0.2009 -3.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4206 1.2929 -2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5226 -1.4533 -1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3519 -0.1588 -2.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2290 3.3864 0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5921 3.5024 2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1581 1.5145 2.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9965 3.0122 2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2522 0.5952 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0957 2.0840 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9001 1.6401 1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0086 0.1829 2.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2847 -0.9563 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0439 0.5373 -0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8470 -0.4047 0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2526 0.8497 3.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0988 0.5743 3.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4205 2.2784 3.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8929 -1.8638 1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5530 -0.6608 1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7651 -0.9322 2.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 -0.2242 2.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0503 -1.4178 2.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 2.1088 3.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8739 3.0722 1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7588 3.8510 3.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9364 4.3201 0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6993 5.4652 1.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2597 4.3605 3.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0753 5.4502 2.6225 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 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 44 50 2 0 50 51 1 0 50 52 1 0 52 53 1 0 27 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 52 42 2 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 1 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 6 18 85 1 0 19 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 23 92 1 0 23 93 1 0 27 94 1 6 28 95 1 0 28 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 49127 1 0 51128 1 0 51129 1 0 51130 1 0 53131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 58136 1 0 60137 1 0 60138 1 0 61139 1 0 61140 1 0 62141 1 0 62142 1 0 M END